(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide

C13H12N4O2S — CID 108855351

IUPAC(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)Nc1ccccc1O
InChIInChI=1S/C13H12N4O2S/c14-7-9(8-16-13-15-5-6-20-13)12(19)17-10-3-1-2-4-11(10)18/h1-4,8,18H,5-6H2,(H,15,16)(H,17,19)/b9-8-
InChIKeyJPSLZEZWAZUVHB-HJWRWDBZSA-N
MW288.33 g/mol
LogP1.43
Rot. Bonds3

About (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide (PubChem CID 108855351) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
PubChem CID108855351
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)Nc1ccccc1O
InChIInChI=1S/C13H12N4O2S/c14-7-9(8-16-13-15-5-6-20-13)12(19)17-10-3-1-2-4-11(10)18/h1-4,8,18H,5-6H2,(H,15,16)(H,17,19)/b9-8-
InChIKeyJPSLZEZWAZUVHB-HJWRWDBZSA-N
XLogP1.43
TPSA97.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108818791
(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108842319
(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108860532
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858335
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108855249
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855375
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108852367
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855171
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855126
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848647
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855253
6-[[(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845290

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide (CID 108855351) is (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide is N#C/C(=C/NC1=NCCS1)C(=O)Nc1ccccc1O.
What is the InChIKey of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide?
The InChIKey is JPSLZEZWAZUVHB-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-7-9(8-16-13-15-5-6-20-13)12(19)17-10-3-1-2-4-11(10)18/h1-4,8,18H,5-6H2,(H,15,16)(H,17,19)/b9-8-.
What are the key properties of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide has a molecular weight of 288.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108855351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).