(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide

C16H13N3OS2 — CID 166232176

IUPAC(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1csc(-c2ccc(NC(=O)/C=C/c3cncs3)cc2)n1
InChIInChI=1S/C16H13N3OS2/c1-11-9-21-16(18-11)12-2-4-13(5-3-12)19-15(20)7-6-14-8-17-10-22-14/h2-10H,1H3,(H,19,20)/b7-6+
InChIKeyOLWFRAXPEDOJCU-VOTSOKGWSA-N
MW327.43 g/mol
LogP4.23
Rot. Bonds4

About (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide

(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 166232176) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID166232176
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1csc(-c2ccc(NC(=O)/C=C/c3cncs3)cc2)n1
InChIInChI=1S/C16H13N3OS2/c1-11-9-21-16(18-11)12-2-4-13(5-3-12)19-15(20)7-6-14-8-17-10-22-14/h2-10H,1H3,(H,19,20)/b7-6+
InChIKeyOLWFRAXPEDOJCU-VOTSOKGWSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)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

(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 167957063
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]prop-2-enamide
CID 41191672
(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232117
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
CID 119759369
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 28865342
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405559
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 75434300
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751443

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 166232176) is (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is Cc1csc(-c2ccc(NC(=O)/C=C/c3cncs3)cc2)n1.
What is the InChIKey of (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is OLWFRAXPEDOJCU-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-11-9-21-16(18-11)12-2-4-13(5-3-12)19-15(20)7-6-14-8-17-10-22-14/h2-10H,1H3,(H,19,20)/b7-6+.
What are the key properties of (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).