4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide

C11H7ClN2O2S — CID 71423986

IUPAC4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide
SMILESO=Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H7ClN2O2S/c12-8-3-1-7(2-4-8)10(16)14-11-13-5-9(6-15)17-11/h1-6H,(H,13,14,16)
InChIKeyNFLUSJMHLBZJDB-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide

4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide (PubChem CID 71423986) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide
PubChem CID71423986
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide
SMILESO=Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H7ClN2O2S/c12-8-3-1-7(2-4-8)10(16)14-11-13-5-9(6-15)17-11/h1-6H,(H,13,14,16)
InChIKeyNFLUSJMHLBZJDB-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907794
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
N-(5-ethenyl-1,3-thiazol-2-yl)benzamide
CID 123927377
3-[2-[(4-cyanobenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907763
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30291826
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
3-[2-[(4-chloro-2-fluorobenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907360
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
N-[5-[(5-bromothiophen-2-yl)methylideneamino]-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 3354063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide (CID 71423986) is 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide is O=Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NFLUSJMHLBZJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-8-3-1-7(2-4-8)10(16)14-11-13-5-9(6-15)17-11/h1-6H,(H,13,14,16).
What are the key properties of 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide?
4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 266.71 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 71423986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).