2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C24H22F2N6O3S — CID 5481912

IUPAC2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(N)=O)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N6O3S/c1-13-20(36-23(30-13)16-5-3-15(4-6-16)21(27)33)22(34)31-14(2)24(35,10-32-12-28-11-29-32)18-8-7-17(25)9-19(18)26/h3-9,11-12,14,35H,10H2,1-2H3,(H2,27,33)(H,31,34)/t14-,24-/m1/s1
InChIKeyUYGVRCXNVNZEQC-JBEBIEQOSA-N
MW512.54 g/mol
LogP2.79
Rot. Bonds8

About 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 5481912) has the molecular formula C24H22F2N6O3S and a molecular weight of 512.54 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID5481912
Molecular FormulaC24H22F2N6O3S
Molecular Weight512.54 g/mol
Exact Mass512.14
IUPAC Name2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(N)=O)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N6O3S/c1-13-20(36-23(30-13)16-5-3-15(4-6-16)21(27)33)22(34)31-14(2)24(35,10-32-12-28-11-29-32)18-8-7-17(25)9-19(18)26/h3-9,11-12,14,35H,10H2,1-2H3,(H2,27,33)(H,31,34)/t14-,24-/m1/s1
InChIKeyUYGVRCXNVNZEQC-JBEBIEQOSA-N
XLogP2.79
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 5481912) is 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(N)=O)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UYGVRCXNVNZEQC-JBEBIEQOSA-N. The full InChI is InChI=1S/C24H22F2N6O3S/c1-13-20(36-23(30-13)16-5-3-15(4-6-16)21(27)33)22(34)31-14(2)24(35,10-32-12-28-11-29-32)18-8-7-17(25)9-19(18)26/h3-9,11-12,14,35H,10H2,1-2H3,(H2,27,33)(H,31,34)/t14-,24-/m1/s1.
What are the key properties of 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 512.54 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5481912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).