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

C15H15N5O2S — CID 108818791

IUPAC(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C(C#N)=C\NC2=NCCS2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10(21)19-12-2-4-13(5-3-12)20-14(22)11(8-16)9-18-15-17-6-7-23-15/h2-5,9H,6-7H2,1H3,(H,17,18)(H,19,21)(H,20,22)/b11-9-
InChIKeyYZWSMAHHWLMNAV-LUAWRHEFSA-N
MW329.39 g/mol
LogP1.68
Rot. Bonds4

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

(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (PubChem CID 108818791) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
PubChem CID108818791
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C(C#N)=C\NC2=NCCS2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10(21)19-12-2-4-13(5-3-12)20-14(22)11(8-16)9-18-15-17-6-7-23-15/h2-5,9H,6-7H2,1H3,(H,17,18)(H,19,21)(H,20,22)/b11-9-
InChIKeyYZWSMAHHWLMNAV-LUAWRHEFSA-N
XLogP1.68
TPSA106.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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-hydroxyphenyl)prop-2-enamide
CID 108855351
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108852367
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-iodoanilino)prop-2-enamide
CID 108818847
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858335
(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108842319
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
CID 108818617
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848647
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pyridin-2-ylamino)prop-2-enamide
CID 108818677
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (CID 108818791) is (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\NC2=NCCS2)cc1.
What is the InChIKey of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The InChIKey is YZWSMAHHWLMNAV-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10(21)19-12-2-4-13(5-3-12)20-14(22)11(8-16)9-18-15-17-6-7-23-15/h2-5,9H,6-7H2,1H3,(H,17,18)(H,19,21)(H,20,22)/b11-9-.
What are the key properties of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide has a molecular weight of 329.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108818791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).