2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide

C16H16N4OS — CID 22731387

IUPAC2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
InChIKeyADBUMAAMWCLEEI-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.47
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide

2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide (PubChem CID 22731387) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
PubChem CID22731387
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
InChIKeyADBUMAAMWCLEEI-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
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2-(1H-Benzo[d]imidazol-5-yl)-5-phenethylthiazole
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1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-quinoxalin-6-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide (CID 22731387) is 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(C2CCC2)s1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ADBUMAAMWCLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22731387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).