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

C10H9ClN2OS — CID 924611

IUPAC4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14)
InChIKeyBOQSUZFVLCCQFM-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.17
Rot. Bonds1

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

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 924611) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID924611
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14)
InChIKeyBOQSUZFVLCCQFM-UHFFFAOYSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 924611) is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is BOQSUZFVLCCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14).
What are the key properties of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 240.72 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 924611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).