2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride

C13H14ClN3O2S — CID 6603021

IUPAC2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride
SMILESC=CCNc1nc(-c2ccc(O)c(C(N)=O)c2)cs1.Cl
InChIInChI=1S/C13H13N3O2S.ClH/c1-2-5-15-13-16-10(7-19-13)8-3-4-11(17)9(6-8)12(14)18;/h2-4,6-7,17H,1,5H2,(H2,14,18)(H,15,16);1H
InChIKeyWLGBVLSVHFCNEN-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.63
Rot. Bonds5

About 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride

2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride (PubChem CID 6603021) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride
PubChem CID6603021
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride
SMILESC=CCNc1nc(-c2ccc(O)c(C(N)=O)c2)cs1.Cl
InChIInChI=1S/C13H13N3O2S.ClH/c1-2-5-15-13-16-10(7-19-13)8-3-4-11(17)9(6-8)12(14)18;/h2-4,6-7,17H,1,5H2,(H2,14,18)(H,15,16);1H
InChIKeyWLGBVLSVHFCNEN-UHFFFAOYSA-N
XLogP2.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
N-(4-tert-Butyl-thiazol-2-yl)-2-hydroxy-benzamide
CID 807675
2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 659766
2-hydroxy-3-methyl-N-(4-phenylthiazol-2-yl)benzamide
CID 53309542
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155546251
2-Hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
CID 7529090
1-[4-(4-Ketochromen-6-yl)thiazol-2-yl]isonipecotamide;2,2,2-trifluoroacetic acid
CID 44144348
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 122144039
Benzyl 3-[[4-(3-carbamoyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]pyrrolidine-1-carboxylate
CID 137639845
2-hydroxy-5-[2-(N-methyl-4-sulfamoylanilino)-1,3-thiazol-4-yl]benzamide
CID 137655405
Ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177583

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride (CID 6603021) is 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride is C=CCNc1nc(-c2ccc(O)c(C(N)=O)c2)cs1.Cl.
What is the InChIKey of 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride?
The InChIKey is WLGBVLSVHFCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S.ClH/c1-2-5-15-13-16-10(7-19-13)8-3-4-11(17)9(6-8)12(14)18;/h2-4,6-7,17H,1,5H2,(H2,14,18)(H,15,16);1H.
What are the key properties of 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride?
2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 6603021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).