1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one

C18H15N3OS — CID 1477662

IUPAC1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C=CNc1cccnc1
InChIInChI=1S/C18H15N3OS/c1-13-17(23-18(21-13)14-6-3-2-4-7-14)16(22)9-11-20-15-8-5-10-19-12-15/h2-12,20H,1H3
InChIKeyQWDZDHNXMFKHNK-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one (PubChem CID 1477662) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one
PubChem CID1477662
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C=CNc1cccnc1
InChIInChI=1S/C18H15N3OS/c1-13-17(23-18(21-13)14-6-3-2-4-7-14)16(22)9-11-20-15-8-5-10-19-12-15/h2-12,20H,1H3
InChIKeyQWDZDHNXMFKHNK-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)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

3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 135812128
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
3-(4-methoxyanilino)-1-[4-methyl-2-(1-octylpyridin-1-ium-4-yl)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 53396661
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one?
The IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one (CID 1477662) is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one?
The canonical SMILES for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one is Cc1nc(-c2ccccc2)sc1C(=O)C=CNc1cccnc1.
What is the InChIKey of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one?
The InChIKey is QWDZDHNXMFKHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13-17(23-18(21-13)14-6-3-2-4-7-14)16(22)9-11-20-15-8-5-10-19-12-15/h2-12,20H,1H3.
What are the key properties of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one?
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one has a molecular weight of 321.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one is sourced from PubChem (CID 1477662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).