N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C18H14ClFN4O2S — CID 16948370

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H14ClFN4O2S/c1-10-2-4-11(5-3-10)22-17(26)24-18-23-15(9-27-18)16(25)21-12-6-7-14(20)13(19)8-12/h2-9H,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyQUJYJOJYCLBIQR-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.14
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948370) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948370
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H14ClFN4O2S/c1-10-2-4-11(5-3-10)22-17(26)24-18-23-15(9-27-18)16(25)21-12-6-7-14(20)13(19)8-12/h2-9H,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyQUJYJOJYCLBIQR-UHFFFAOYSA-N
XLogP5.14
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-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

2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948370) is N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)Nc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is QUJYJOJYCLBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c1-10-2-4-11(5-3-10)22-17(26)24-18-23-15(9-27-18)16(25)21-12-6-7-14(20)13(19)8-12/h2-9H,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).