2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C19H21N5OS2 — CID 24649267

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CSc3nncn3C3CC3)n2)c(C)c1
InChIInChI=1S/C19H21N5OS2/c1-11-6-12(2)17(13(3)7-11)15-8-26-18(21-15)22-16(25)9-27-19-23-20-10-24(19)14-4-5-14/h6-8,10,14H,4-5,9H2,1-3H3,(H,21,22,25)
InChIKeyGWOYWRYNNOAWFU-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.39
Rot. Bonds6

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24649267) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID24649267
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CSc3nncn3C3CC3)n2)c(C)c1
InChIInChI=1S/C19H21N5OS2/c1-11-6-12(2)17(13(3)7-11)15-8-26-18(21-15)22-16(25)9-27-19-23-20-10-24(19)14-4-5-14/h6-8,10,14H,4-5,9H2,1-3H3,(H,21,22,25)
InChIKeyGWOYWRYNNOAWFU-UHFFFAOYSA-N
XLogP4.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46822979
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24619105
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2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2119714

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 24649267) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c(-c2csc(NC(=O)CSc3nncn3C3CC3)n2)c(C)c1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GWOYWRYNNOAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-11-6-12(2)17(13(3)7-11)15-8-26-18(21-15)22-16(25)9-27-19-23-20-10-24(19)14-4-5-14/h6-8,10,14H,4-5,9H2,1-3H3,(H,21,22,25).
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 399.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24649267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).