2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide

C17H19N5OS — CID 71972532

IUPAC2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(NC(=O)c2cnc(Cc3ccccc3)s2)n(C)n1
InChIInChI=1S/C17H19N5OS/c1-11(2)15-19-17(22(3)21-15)20-16(23)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,19,20,21,23)
InChIKeyBABDFGDDFDVUJY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.24
Rot. Bonds5

About 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide

2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71972532) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID71972532
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(NC(=O)c2cnc(Cc3ccccc3)s2)n(C)n1
InChIInChI=1S/C17H19N5OS/c1-11(2)15-19-17(22(3)21-15)20-16(23)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,19,20,21,23)
InChIKeyBABDFGDDFDVUJY-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide (CID 71972532) is 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide is CC(C)c1nc(NC(=O)c2cnc(Cc3ccccc3)s2)n(C)n1.
What is the InChIKey of 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BABDFGDDFDVUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11(2)15-19-17(22(3)21-15)20-16(23)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,19,20,21,23).
What are the key properties of 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide?
2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71972532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).