4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide

C18H17N3O2S — CID 133371352

IUPAC4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1nc(-c2ccccc2)cs1)c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2S/c22-15-8-6-14(7-9-15)17(23)19-10-11-20-18-21-16(12-24-18)13-4-2-1-3-5-13/h1-9,12,22H,10-11H2,(H,19,23)(H,20,21)
InChIKeyRTCSDIQHTWBVHB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.36
Rot. Bonds6

About 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide

4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide (PubChem CID 133371352) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
PubChem CID133371352
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1nc(-c2ccccc2)cs1)c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2S/c22-15-8-6-14(7-9-15)17(23)19-10-11-20-18-21-16(12-24-18)13-4-2-1-3-5-13/h1-9,12,22H,10-11H2,(H,19,23)(H,20,21)
InChIKeyRTCSDIQHTWBVHB-UHFFFAOYSA-N
XLogP3.36
TPSA74.25 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 ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide
CID 62961907
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide (CID 133371352) is 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide is O=C(NCCNc1nc(-c2ccccc2)cs1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The InChIKey is RTCSDIQHTWBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-15-8-6-14(7-9-15)17(23)19-10-11-20-18-21-16(12-24-18)13-4-2-1-3-5-13/h1-9,12,22H,10-11H2,(H,19,23)(H,20,21).
What are the key properties of 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133371352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).