4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C21H19N3O2S — CID 166413633

IUPAC4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-4-20(25)24(3)18-11-7-16(8-12-18)21(26)23-17-9-5-15(6-10-17)19-13-27-14(2)22-19/h4-13H,1H2,2-3H3,(H,23,26)
InChIKeyMTNNKQFKGWBRJV-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.52
Rot. Bonds5

About 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 166413633) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID166413633
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H19N3O2S/c1-4-20(25)24(3)18-11-7-16(8-12-18)21(26)23-17-9-5-15(6-10-17)19-13-27-14(2)22-19/h4-13H,1H2,2-3H3,(H,23,26)
InChIKeyMTNNKQFKGWBRJV-UHFFFAOYSA-N
XLogP4.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 166413633) is 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is MTNNKQFKGWBRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-4-20(25)24(3)18-11-7-16(8-12-18)21(26)23-17-9-5-15(6-10-17)19-13-27-14(2)22-19/h4-13H,1H2,2-3H3,(H,23,26).
What are the key properties of 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 166413633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).