4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole

C81H107N11S2 — CID 157490735

IUPAC4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2[nH]ncc12.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/2C12H15N.C12H14S.C11H14N2.C10H13N3.C9H13N.C8H12N2.C7H11NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyBXFWXXLYWQBUPG-UHFFFAOYSA-N
MW1298.96 g/mol
LogP22.84
Rot. Bonds

About 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole

4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole (PubChem CID 157490735) has the molecular formula C81H107N11S2 and a molecular weight of 1298.96 g/mol. Its IUPAC name is 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
PubChem CID157490735
Molecular FormulaC81H107N11S2
Molecular Weight1298.96 g/mol
Exact Mass1297.82
IUPAC Name4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2[nH]ncc12.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/2C12H15N.C12H14S.C11H14N2.C10H13N3.C9H13N.C8H12N2.C7H11NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyBXFWXXLYWQBUPG-UHFFFAOYSA-N
XLogP22.84
TPSA153.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.96
LogP ≤ 522.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole with MolForge

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Related Compounds

N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252054
6-(2,7-Dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(2-methylpiperidin-4-yl)-1,3-benzothiazole;6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160055007
2-methyl-6-[5-[4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole
CID 69621213
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088535
N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088551
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137115250
1-phenyl-N-[[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137115487
2-[6-cinnolin-3-yl-3-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141053556
2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole
CID 141087155
3-[3-(2,3-dihydro-1-benzothiophen-2-yl)-6-(2,3-dihydroindol-1-yl)-2-(2H-isoindol-1-yl)-7-pyridazin-3-yl-3H-inden-1-yl]-1H-indazole
CID 141141655
2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole
CID 141151194
4-(1,3-benzothiazol-2-yl)-5-(1H-indazol-3-yl)-2-methyl-6-pyridin-4-yl-1,3-benzothiazole
CID 141165342

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The IUPAC name of 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole (CID 157490735) is 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole is CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2[nH]ncc12.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1.
What is the InChIKey of 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
The InChIKey is BXFWXXLYWQBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C12H14S.C11H14N2.C10H13N3.C9H13N.C8H12N2.C7H11NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-6-9-4-5-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole?
4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole has a molecular weight of 1298.96 g/mol, XLogP of 22.84, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 157490735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).