2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide

C17H11ClFN3O2S — CID 16914974

IUPAC2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1)c1ccccc1
InChIInChI=1S/C17H11ClFN3O2S/c18-12-8-11(6-7-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23)
InChIKeyPDOMTOASDWWKKV-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.44
Rot. Bonds4

About 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914974) has the molecular formula C17H11ClFN3O2S and a molecular weight of 375.81 g/mol. Its IUPAC name is 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID16914974
Molecular FormulaC17H11ClFN3O2S
Molecular Weight375.81 g/mol
Exact Mass375.02
IUPAC Name2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1)c1ccccc1
InChIInChI=1S/C17H11ClFN3O2S/c18-12-8-11(6-7-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23)
InChIKeyPDOMTOASDWWKKV-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 16914974) is 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PDOMTOASDWWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2S/c18-12-8-11(6-7-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23).
What are the key properties of 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).