(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one

C19H24N2OS — CID 127043101

IUPAC(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)/C=C/N(C)C)s2)cc1
InChIInChI=1S/C19H24N2OS/c1-5-6-7-15-8-10-16(11-9-15)19-20-14(2)18(23-19)17(22)12-13-21(3)4/h8-13H,5-7H2,1-4H3/b13-12+
InChIKeyXNIMIVXVUHRLQA-OUKQBFOZSA-N
MW328.48 g/mol
LogP4.72
Rot. Bonds7

About (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one

(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 127043101) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID127043101
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)/C=C/N(C)C)s2)cc1
InChIInChI=1S/C19H24N2OS/c1-5-6-7-15-8-10-16(11-9-15)19-20-14(2)18(23-19)17(22)12-13-21(3)4/h8-13H,5-7H2,1-4H3/b13-12+
InChIKeyXNIMIVXVUHRLQA-OUKQBFOZSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one 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-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
1-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 4616789
(E)-1-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 1477652
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 1483672
(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5376566
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-2-(phenylsulfanyl)-1-ethanone
CID 1477678
N-allyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 3795905
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(4-toluidino)-2-propen-1-one
CID 5524550
3-(Dimethylamino)-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 6184028
1-[2-(2,4-Difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 2806145
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 8964238

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one (CID 127043101) is (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one is CCCCc1ccc(-c2nc(C)c(C(=O)/C=C/N(C)C)s2)cc1.
What is the InChIKey of (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is XNIMIVXVUHRLQA-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-6-7-15-8-10-16(11-9-15)19-20-14(2)18(23-19)17(22)12-13-21(3)4/h8-13H,5-7H2,1-4H3/b13-12+.
What are the key properties of (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one?
(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 328.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 127043101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).