N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C14H15N3O2S2 — CID 2125060

IUPACN-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S2/c1-10-8-20-14(16-10)21-9-12(18)17-13(19)15-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H2,15,17,18,19)
InChIKeyUFIIWXZUNAASNS-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.57
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2125060) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2125060
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S2/c1-10-8-20-14(16-10)21-9-12(18)17-13(19)15-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H2,15,17,18,19)
InChIKeyUFIIWXZUNAASNS-UHFFFAOYSA-N
XLogP2.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 16196354
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 118514531
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336
N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
CID 4962231
N-(2-(4-(2-amino-1,3-thiazol-4-yl)phenyl)ethyl)acetamide
CID 2474355

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2125060) is N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is UFIIWXZUNAASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-8-20-14(16-10)21-9-12(18)17-13(19)15-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H2,15,17,18,19).
What are the key properties of N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2125060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).