3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one

C15H17N3OS — CID 68934292

IUPAC3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one
SMILESCc1ccc(-c2nc(C)c(C(=O)C=CN(C)C)s2)cn1
InChIInChI=1S/C15H17N3OS/c1-10-5-6-12(9-16-10)15-17-11(2)14(20-15)13(19)7-8-18(3)4/h5-9H,1-4H3
InChIKeyLDXRHYHMQQMXGS-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.08
Rot. Bonds4

About 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one

3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one (PubChem CID 68934292) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one
PubChem CID68934292
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one
SMILESCc1ccc(-c2nc(C)c(C(=O)C=CN(C)C)s2)cn1
InChIInChI=1S/C15H17N3OS/c1-10-5-6-12(9-16-10)15-17-11(2)14(20-15)13(19)7-8-18(3)4/h5-9H,1-4H3
InChIKeyLDXRHYHMQQMXGS-UHFFFAOYSA-N
XLogP3.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one with MolForge

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Related Compounds

(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 75176342
3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 67269497
3-(dimethylamino)-1-(2-methoxy-4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 69196415
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 135812128
1-[2-(4-chloro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
CID 68942451
(E)-3-(dimethylamino)-1-[4-methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 135286304
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylamino)prop-2-en-1-one
CID 1477662
[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone
CID 155205888
(E)-3-(4-fluorophenyl)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 135812135
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one (CID 68934292) is 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one is Cc1ccc(-c2nc(C)c(C(=O)C=CN(C)C)s2)cn1.
What is the InChIKey of 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one?
The InChIKey is LDXRHYHMQQMXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-5-6-12(9-16-10)15-17-11(2)14(20-15)13(19)7-8-18(3)4/h5-9H,1-4H3.
What are the key properties of 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one has a molecular weight of 287.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 68934292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).