tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C107H164N20S3 — CID 161094752

IUPACtert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1.CC(C)c1cc[nH]c1.CC(C)c1cncs1.CC(C)c1nccs1
InChIInChI=1S/C10H14.3C9H13N.2C8H12N2.C7H11N3.3C7H12N2.C7H11NS.C7H11N.2C6H9NS/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;3*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyUHQJNKRXQQLOPU-UHFFFAOYSA-N
MW1826.83 g/mol
LogP29.07
Rot. Bonds3

About tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 161094752) has the molecular formula C107H164N20S3 and a molecular weight of 1826.83 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID161094752
Molecular FormulaC107H164N20S3
Molecular Weight1826.83 g/mol
Exact Mass1825.26
IUPAC Nametert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1.CC(C)c1cc[nH]c1.CC(C)c1cncs1.CC(C)c1nccs1
InChIInChI=1S/C10H14.3C9H13N.2C8H12N2.C7H11N3.3C7H12N2.C7H11NS.C7H11N.2C6H9NS/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;3*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyUHQJNKRXQQLOPU-UHFFFAOYSA-N
XLogP29.07
TPSA269.40 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.83
LogP ≤ 529.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 88922364
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-(4-methyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydropyrido[3,4-c]pyridazin-6-yl]-3-pyridinyl]-3-methylbutanamide
CID 145034093
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145037804
N-(6-methylpyridin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 159349304
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 160547492
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-4-(4-propan-2-ylphenyl)triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161222423
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517
4-(7-butyl-3-hexyl-2-benzothiophen-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[4-(3,5-dihexylthiophen-2-yl)-2-pyridinyl]-1H-benzimidazole;4-(3,5-dihexylthiophen-2-yl)-2-(1H-pyrrol-2-yl)pyridine
CID 161822699
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161838084
4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 173006361

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 161094752) is tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1.CC(C)c1cc[nH]c1.CC(C)c1cncs1.CC(C)c1nccs1.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is UHQJNKRXQQLOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C9H13N.2C8H12N2.C7H11N3.3C7H12N2.C7H11NS.C7H11N.2C6H9NS/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;3*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-6,8H,1-2H3;2*3-5H,1-2H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1826.83 g/mol, XLogP of 29.07, 3 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161094752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).