2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C17H19N5OS — CID 94344688

IUPAC2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C17H19N5OS/c1-4-15-20-12(3)16(24-15)17(23)21-11(2)13-5-7-14(8-6-13)22-10-18-9-19-22/h5-11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeySYCBZYOQMUYBOC-NSHDSACASA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 94344688) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID94344688
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C17H19N5OS/c1-4-15-20-12(3)16(24-15)17(23)21-11(2)13-5-7-14(8-6-13)22-10-18-9-19-22/h5-11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeySYCBZYOQMUYBOC-NSHDSACASA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
CID 41013801
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49318232
2-(2-aminoethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618402
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
1-butyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazine-3-carboxamide
CID 51197671
(E)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pent-2-enamide
CID 95330155

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 94344688) is 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SYCBZYOQMUYBOC-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-15-20-12(3)16(24-15)17(23)21-11(2)13-5-7-14(8-6-13)22-10-18-9-19-22/h5-11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94344688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).