3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide

C13H9ClN2O2S — CID 60800822

IUPAC3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O2S/c14-10-4-1-3-9(7-10)12(18)16-13-15-8-11(19-13)5-2-6-17/h1,3-4,7-8,17H,6H2,(H,15,16,18)
InChIKeyAZNGFTBWASIAQE-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.39
Rot. Bonds2

About 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide

3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 60800822) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
PubChem CID60800822
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O2S/c14-10-4-1-3-9(7-10)12(18)16-13-15-8-11(19-13)5-2-6-17/h1,3-4,7-8,17H,6H2,(H,15,16,18)
InChIKeyAZNGFTBWASIAQE-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542
5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801881
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 63747748
1-(2,5-dichlorophenyl)-3-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]urea
CID 60803434
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
3-chloro-4-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60804564
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
2,5-dibromo-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 107963837
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (CID 60800822) is 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(C#CCO)s1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AZNGFTBWASIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-10-4-1-3-9(7-10)12(18)16-13-15-8-11(19-13)5-2-6-17/h1,3-4,7-8,17H,6H2,(H,15,16,18).
What are the key properties of 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 292.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60800822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).