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

C13H8ClFN2O2S — CID 60801881

IUPAC5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H8ClFN2O2S/c14-8-3-4-11(15)10(6-8)12(19)17-13-16-7-9(20-13)2-1-5-18/h3-4,6-7,18H,5H2,(H,16,17,19)
InChIKeyRGCUKZMXLXQOGW-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.53
Rot. Bonds2

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

5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 60801881) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
PubChem CID60801881
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H8ClFN2O2S/c14-8-3-4-11(15)10(6-8)12(19)17-13-16-7-9(20-13)2-1-5-18/h3-4,6-7,18H,5H2,(H,16,17,19)
InChIKeyRGCUKZMXLXQOGW-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.53
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-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-fluoro-5-methylbenzamide
CID 62510665
1-(2,5-dichlorophenyl)-3-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]urea
CID 60803434
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
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
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 104671780
5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 104639390
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (CID 60801881) is 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(C#CCO)s1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RGCUKZMXLXQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-8-3-4-11(15)10(6-8)12(19)17-13-16-7-9(20-13)2-1-5-18/h3-4,6-7,18H,5H2,(H,16,17,19).
What are the key properties of 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 310.74 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60801881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).