2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14N4O2S — CID 2522692

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1
InChIInChI=1S/C14H14N4O2S/c1-8-3-4-10-11(5-8)16-14(15-10)21-7-13(19)17-12-6-9(2)20-18-12/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyGKTVBNCCDDFMNP-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.90
Rot. Bonds4

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2522692) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2522692
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1
InChIInChI=1S/C14H14N4O2S/c1-8-3-4-10-11(5-8)16-14(15-10)21-7-13(19)17-12-6-9(2)20-18-12/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyGKTVBNCCDDFMNP-UHFFFAOYSA-N
XLogP2.90
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4881181
2-(1H-benzimidazol-2-ylthio)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 1202330
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(5-methyl-1H-benzimidazol-2-yl)thio]acetamide
CID 601309
2-(1H-Benzoimidazol-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-butyramide
CID 644472
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 651389
2-[5-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655186
2-{1-[2-(3,5-Dimethyl-piperidin-1-yl)-2-oxo-ethyl]-1H-benzoimidazol-2-ylsulfanyl}-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655856
2-(1H-benzimidazol-2-ylthio)-N-(5-methyl-3-isoxazolyl)acetamide
CID 684683
2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole
CID 975504
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]sulfanylacetamide
CID 16385094
2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979014
2-(5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 3163276

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2522692) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GKTVBNCCDDFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-3-4-10-11(5-8)16-14(15-10)21-7-13(19)17-12-6-9(2)20-18-12/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).