N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide

C17H19N5OS — CID 95714793

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2cn(-c3ccccc3)nn2)c(C)s1
InChIInChI=1S/C17H19N5OS/c1-11(16-12(2)24-13(3)18-16)21(4)17(23)15-10-22(20-19-15)14-8-6-5-7-9-14/h5-11H,1-4H3/t11-/m1/s1
InChIKeyWLXLVIRKETZPKT-LLVKDONJSA-N
MW341.44 g/mol
LogP3.17
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 95714793) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide
PubChem CID95714793
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2cn(-c3ccccc3)nn2)c(C)s1
InChIInChI=1S/C17H19N5OS/c1-11(16-12(2)24-13(3)18-16)21(4)17(23)15-10-22(20-19-15)14-8-6-5-7-9-14/h5-11H,1-4H3/t11-/m1/s1
InChIKeyWLXLVIRKETZPKT-LLVKDONJSA-N
XLogP3.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 97204849
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 46546081
N-methyl-N-(3-methylbutyl)-1-phenyltriazole-4-carboxamide
CID 86929679
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 70722846
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
CID 124750849
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 126433011
2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
CID 97155572
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide (CID 95714793) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide is Cc1nc([C@@H](C)N(C)C(=O)c2cn(-c3ccccc3)nn2)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is WLXLVIRKETZPKT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11(16-12(2)24-13(3)18-16)21(4)17(23)15-10-22(20-19-15)14-8-6-5-7-9-14/h5-11H,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 95714793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).