3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C41H63N9OS — CID 160605785

IUPAC3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1n[nH]c(C)c1C(C)C
InChIInChI=1S/C8H14N2.C8H11N.C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h5H,1-4H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyREVUFFNCSNFSPM-UHFFFAOYSA-N
MW730.08 g/mol
LogP11.55
Rot. Bonds6

About 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 160605785) has the molecular formula C41H63N9OS and a molecular weight of 730.08 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID160605785
Molecular FormulaC41H63N9OS
Molecular Weight730.08 g/mol
Exact Mass729.49
IUPAC Name3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1n[nH]c(C)c1C(C)C
InChIInChI=1S/C8H14N2.C8H11N.C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h5H,1-4H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyREVUFFNCSNFSPM-UHFFFAOYSA-N
XLogP11.55
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.08
LogP ≤ 511.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-(1,1-Difluoroethyl)-2-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine
CID 157670881
CID 161609016
CID 161609016
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[5-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(1,3-thiazolidin-2-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-3-yl]-1,3-oxazole
CID 141054325
2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole
CID 141079867
2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
CID 141088035
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
2-[1-(1H-imidazol-5-yl)-3-pyridin-2-yl-2-pyridin-3-yl-6-(1,3-thiazol-4-yl)-5-(triazol-1-yl)-2H-pyridin-4-yl]-1,3-oxazole
CID 141151177
2-[6-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-2-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-4-yl]-1,3-oxazole
CID 141192924
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 160605785) is 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)c1ccccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1n[nH]c(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is REVUFFNCSNFSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H11N.C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h5H,1-4H3,(H,9,10);3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 730.08 g/mol, XLogP of 11.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160605785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).