2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide

C18H17N3O2S — CID 7529090

IUPAC2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(NCCc3ccccc3)n2)ccc1O
InChIInChI=1S/C18H17N3O2S/c19-17(23)14-10-13(6-7-16(14)22)15-11-24-18(21-15)20-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H2,19,23)(H,20,21)
InChIKeyKDCKVESCVSDEOM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.27
Rot. Bonds6

About 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide

2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide (PubChem CID 7529090) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
PubChem CID7529090
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(NCCc3ccccc3)n2)ccc1O
InChIInChI=1S/C18H17N3O2S/c19-17(23)14-10-13(6-7-16(14)22)15-11-24-18(21-15)20-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H2,19,23)(H,20,21)
InChIKeyKDCKVESCVSDEOM-UHFFFAOYSA-N
XLogP3.27
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 695906
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
5-(2-(Allylamino)thiazol-4-yl)-2-hydroxybenzamide hydrochloride
CID 6603021
2-hydroxy-3-methyl-N-(4-phenylthiazol-2-yl)benzamide
CID 53309542
2-Carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate
CID 54704766
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705545
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-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
CID 71537811
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 71543106

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide (CID 7529090) is 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(NCCc3ccccc3)n2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide?
The InChIKey is KDCKVESCVSDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-17(23)14-10-13(6-7-16(14)22)15-11-24-18(21-15)20-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H2,19,23)(H,20,21).
What are the key properties of 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 7529090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).