2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide

C20H18N4O3S2 — CID 138673575

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H18N4O3S2/c1-13(18-12-28-20(23-18)24-29(26,27)17-8-9-17)19(25)22-16-6-4-14(5-7-16)15-3-2-10-21-11-15/h2-7,10-12,17H,1,8-9H2,(H,22,25)(H,23,24)
InChIKeyXMZRTRMAMMDSNN-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.76
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide (PubChem CID 138673575) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide
PubChem CID138673575
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H18N4O3S2/c1-13(18-12-28-20(23-18)24-29(26,27)17-8-9-17)19(25)22-16-6-4-14(5-7-16)15-3-2-10-21-11-15/h2-7,10-12,17H,1,8-9H2,(H,22,25)(H,23,24)
InChIKeyXMZRTRMAMMDSNN-UHFFFAOYSA-N
XLogP3.76
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
CID 138673721
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyridin-3-ylphenyl)butanamide
CID 138673665
2-(cyclopropylsulfonylamino)-N-(4-pyridin-3-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 138673819
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 138673917
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
CID 171343778
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 138701461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide (CID 138673575) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide is C=C(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide?
The InChIKey is XMZRTRMAMMDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13(18-12-28-20(23-18)24-29(26,27)17-8-9-17)19(25)22-16-6-4-14(5-7-16)15-3-2-10-21-11-15/h2-7,10-12,17H,1,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide has a molecular weight of 426.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide is sourced from PubChem (CID 138673575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).