2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C18H13ClF2N4O2S — CID 16948876

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C18H13ClF2N4O2S/c19-10-3-1-4-11(7-10)23-17(27)25-18-24-15(9-28-18)16(26)22-8-12-13(20)5-2-6-14(12)21/h1-7,9H,8H2,(H,22,26)(H2,23,24,25,27)
InChIKeyCDCLKEPGJCMRQE-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.65
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 16948876) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID16948876
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C18H13ClF2N4O2S/c19-10-3-1-4-11(7-10)23-17(27)25-18-24-15(9-28-18)16(26)22-8-12-13(20)5-2-6-14(12)21/h1-7,9H,8H2,(H,22,26)(H2,23,24,25,27)
InChIKeyCDCLKEPGJCMRQE-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-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-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948802
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454084
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 16948876) is 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCc2c(F)cccc2F)cs1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CDCLKEPGJCMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S/c19-10-3-1-4-11(7-10)23-17(27)25-18-24-15(9-28-18)16(26)22-8-12-13(20)5-2-6-14(12)21/h1-7,9H,8H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 422.84 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).