(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide

C17H18N4OS — CID 108829976

IUPAC(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\Nc1nccs1
InChIInChI=1S/C17H18N4OS/c1-13(2)21(12-14-6-4-3-5-7-14)16(22)15(10-18)11-20-17-19-8-9-23-17/h3-9,11,13H,12H2,1-2H3,(H,19,20)/b15-11-
InChIKeyQSNVCYCDAJDQNQ-PTNGSMBKSA-N
MW326.43 g/mol
LogP3.40
Rot. Bonds6

About (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide

(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide (PubChem CID 108829976) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide
PubChem CID108829976
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\Nc1nccs1
InChIInChI=1S/C17H18N4OS/c1-13(2)21(12-14-6-4-3-5-7-14)16(22)15(10-18)11-20-17-19-8-9-23-17/h3-9,11,13H,12H2,1-2H3,(H,19,20)/b15-11-
InChIKeyQSNVCYCDAJDQNQ-PTNGSMBKSA-N
XLogP3.40
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
(Z)-N-benzyl-2-cyano-3-(2-ethylanilino)-N-propan-2-ylprop-2-enamide
CID 108830077
(Z)-N-benzyl-2-cyano-3-(2,6-dichloroanilino)-N-propan-2-ylprop-2-enamide
CID 108830120
(Z)-N-benzyl-2-cyano-3-(4-iodoanilino)-N-propan-2-ylprop-2-enamide
CID 108830112
(Z)-3-(4-acetylanilino)-N-benzyl-2-cyano-N-propan-2-ylprop-2-enamide
CID 108829942
(Z)-N-benzyl-2-cyano-3-(3-hydroxypropylamino)-N-propan-2-ylprop-2-enamide
CID 108830012
4-[[(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108829914
(Z)-N-benzyl-2-cyano-3-(2,2-dimethoxyethylamino)-N-propan-2-ylprop-2-enamide
CID 108830072
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829996
(Z)-N-benzyl-2-cyano-3-(2,5-difluoroanilino)-N-propan-2-ylprop-2-enamide
CID 108830150
(Z)-N-benzyl-3-[(4-chlorophenyl)methylamino]-2-cyano-N-propan-2-ylprop-2-enamide
CID 108829897
(Z)-N-benzyl-3-(4-bromo-3-methylanilino)-2-cyano-N-propan-2-ylprop-2-enamide
CID 108830137

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide (CID 108829976) is (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide is CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\Nc1nccs1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The InChIKey is QSNVCYCDAJDQNQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13(2)21(12-14-6-4-3-5-7-14)16(22)15(10-18)11-20-17-19-8-9-23-17/h3-9,11,13H,12H2,1-2H3,(H,19,20)/b15-11-.
What are the key properties of (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide has a molecular weight of 326.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108829976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).