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

C15H16N2OS — CID 5376566

IUPAC(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)/C=C/N(C)C
InChIInChI=1S/C15H16N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h4-10H,1-3H3/b10-9+
InChIKeyDHWFFTPILWMKHY-MDZDMXLPSA-N
MW272.37 g/mol
LogP3.38
Rot. Bonds4

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

(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 5376566) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID5376566
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)/C=C/N(C)C
InChIInChI=1S/C15H16N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h4-10H,1-3H3/b10-9+
InChIKeyDHWFFTPILWMKHY-MDZDMXLPSA-N
XLogP3.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one (CID 5376566) is (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is Cc1nc(-c2ccccc2)sc1C(=O)/C=C/N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is DHWFFTPILWMKHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h4-10H,1-3H3/b10-9+.
What are the key properties of (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one has a molecular weight of 272.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 5376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).