3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide

C19H15N3O2S — CID 110393548

IUPAC3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C19H15N3O2S/c20-11-13-2-1-3-15(10-13)19(24)21-9-8-18-22-17(12-25-18)14-4-6-16(23)7-5-14/h1-7,10,12,23H,8-9H2,(H,21,24)
InChIKeyBMDPOUZXQRYADX-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.36
Rot. Bonds5

About 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide

3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 110393548) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID110393548
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C19H15N3O2S/c20-11-13-2-1-3-15(10-13)19(24)21-9-8-18-22-17(12-25-18)14-4-6-16(23)7-5-14/h1-7,10,12,23H,8-9H2,(H,21,24)
InChIKeyBMDPOUZXQRYADX-UHFFFAOYSA-N
XLogP3.36
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317642
1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 110393569
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 110393548) is 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is BMDPOUZXQRYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-11-13-2-1-3-15(10-13)19(24)21-9-8-18-22-17(12-25-18)14-4-6-16(23)7-5-14/h1-7,10,12,23H,8-9H2,(H,21,24).
What are the key properties of 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 349.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110393548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).