2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H15N5OS2 — CID 742081

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C14H15N5OS2/c1-8(2)12-18-19-14(22-12)17-11(20)7-21-13-15-9-5-3-4-6-10(9)16-13/h3-6,8H,7H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyMSDFIOSHSHNCPF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.27
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 742081) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID742081
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C14H15N5OS2/c1-8(2)12-18-19-14(22-12)17-11(20)7-21-13-15-9-5-3-4-6-10(9)16-13/h3-6,8H,7H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyMSDFIOSHSHNCPF-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 25251417
ethyl 2-[2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetate
CID 3635146
methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-5-carboxylate
CID 11964478
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 11837298
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2650911
2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 136683997
2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756214
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 1308854
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7755957

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 742081) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MSDFIOSHSHNCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-8(2)12-18-19-14(22-12)17-11(20)7-21-13-15-9-5-3-4-6-10(9)16-13/h3-6,8H,7H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).