N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide

C15H17N3OS — CID 23848032

IUPACN-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
SMILESC=CCn1c(C)cs/c1=N\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H17N3OS/c1-4-9-18-11(2)10-20-15(18)17-14-7-5-13(6-8-14)16-12(3)19/h4-8,10H,1,9H2,2-3H3,(H,16,19)/b17-15-
InChIKeyKMSNITFYIRTAMU-ICFOKQHNSA-N
MW287.39 g/mol
LogP3.23
Rot. Bonds4

About N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide

N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide (PubChem CID 23848032) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
PubChem CID23848032
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
SMILESC=CCn1c(C)cs/c1=N\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H17N3OS/c1-4-9-18-11(2)10-20-15(18)17-14-7-5-13(6-8-14)16-12(3)19/h4-8,10H,1,9H2,2-3H3,(H,16,19)/b17-15-
InChIKeyKMSNITFYIRTAMU-ICFOKQHNSA-N
XLogP3.23
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 56972603
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 87804391
N-[4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]phenyl]acetamide
CID 2131730
(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733892
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
CID 24938684
N-[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2423353
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372
2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135684010
1-[4-[[4-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]amino]phenyl]ethanone
CID 2452538
N-[4-[(Z)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 75535282
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide (CID 23848032) is N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide is C=CCn1c(C)cs/c1=N\c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide?
The InChIKey is KMSNITFYIRTAMU-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-9-18-11(2)10-20-15(18)17-14-7-5-13(6-8-14)16-12(3)19/h4-8,10H,1,9H2,2-3H3,(H,16,19)/b17-15-.
What are the key properties of N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide?
N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide has a molecular weight of 287.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide is sourced from PubChem (CID 23848032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).