2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H15ClN4OS2 — CID 18569161

IUPAC2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)n1
InChIInChI=1S/C16H15ClN4OS2/c1-10-8-23-15(19-10)20-14(22)9-24-16-18-7-13(21(16)2)11-3-5-12(17)6-4-11/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyBGMNAMWFMJNQHT-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.24
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 18569161) has the molecular formula C16H15ClN4OS2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID18569161
Molecular FormulaC16H15ClN4OS2
Molecular Weight378.91 g/mol
Exact Mass378.04
IUPAC Name2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)n1
InChIInChI=1S/C16H15ClN4OS2/c1-10-8-23-15(19-10)20-14(22)9-24-16-18-7-13(21(16)2)11-3-5-12(17)6-4-11/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyBGMNAMWFMJNQHT-UHFFFAOYSA-N
XLogP4.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 18569161) is 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BGMNAMWFMJNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS2/c1-10-8-23-15(19-10)20-14(22)9-24-16-18-7-13(21(16)2)11-3-5-12(17)6-4-11/h3-8H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 378.91 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18569161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).