2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H19N5OS2 — CID 17457394

IUPAC2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3C3CC3)c2)cs1
InChIInChI=1S/C18H19N5OS2/c1-11-21-22-18(23(11)15-6-7-15)26-10-17(24)20-14-5-3-4-13(8-14)16-9-25-12(2)19-16/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyHEFGJXZLZGGNLU-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.08
Rot. Bonds6

About 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 17457394) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID17457394
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3C3CC3)c2)cs1
InChIInChI=1S/C18H19N5OS2/c1-11-21-22-18(23(11)15-6-7-15)26-10-17(24)20-14-5-3-4-13(8-14)16-9-25-12(2)19-16/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyHEFGJXZLZGGNLU-UHFFFAOYSA-N
XLogP4.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46805241
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27789109
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 42038302
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 8722900
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 31180336
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 9438736
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-(3-acetamidophenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722573
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 7416963
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 8722460
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 8722976
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 17457394) is 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3C3CC3)c2)cs1.
What is the InChIKey of 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is HEFGJXZLZGGNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-11-21-22-18(23(11)15-6-7-15)26-10-17(24)20-14-5-3-4-13(8-14)16-9-25-12(2)19-16/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 385.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 17457394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).