2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C14H16N4OS — CID 51108679

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nccn1C1CC1)NCc1ccccn1
InChIInChI=1S/C14H16N4OS/c19-13(17-9-11-3-1-2-6-15-11)10-20-14-16-7-8-18(14)12-4-5-12/h1-3,6-8,12H,4-5,9-10H2,(H,17,19)
InChIKeyBMHBIKMHZVXCIE-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.02
Rot. Bonds6

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 51108679) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID51108679
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nccn1C1CC1)NCc1ccccn1
InChIInChI=1S/C14H16N4OS/c19-13(17-9-11-3-1-2-6-15-11)10-20-14-16-7-8-18(14)12-4-5-12/h1-3,6-8,12H,4-5,9-10H2,(H,17,19)
InChIKeyBMHBIKMHZVXCIE-UHFFFAOYSA-N
XLogP2.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)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-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16587969
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 51108679) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1nccn1C1CC1)NCc1ccccn1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BMHBIKMHZVXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-13(17-9-11-3-1-2-6-15-11)10-20-14-16-7-8-18(14)12-4-5-12/h1-3,6-8,12H,4-5,9-10H2,(H,17,19).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 51108679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).