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

C10H14N2OS — CID 63750752

IUPAC(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESCc1nc(C(=O)/C=C/N(C)C)c(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-10(11-8(2)14-7)9(13)5-6-12(3)4/h5-6H,1-4H3/b6-5+
InChIKeyTZEZVPZHMNDXCC-AATRIKPKSA-N
MW210.30 g/mol
LogP2.02
Rot. Bonds3

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

(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 63750752) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID63750752
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESCc1nc(C(=O)/C=C/N(C)C)c(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-10(11-8(2)14-7)9(13)5-6-12(3)4/h5-6H,1-4H3/b6-5+
InChIKeyTZEZVPZHMNDXCC-AATRIKPKSA-N
XLogP2.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.02
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-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one (CID 63750752) is (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one is Cc1nc(C(=O)/C=C/N(C)C)c(C)s1.
What is the InChIKey of (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is TZEZVPZHMNDXCC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-10(11-8(2)14-7)9(13)5-6-12(3)4/h5-6H,1-4H3/b6-5+.
What are the key properties of (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 210.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 63750752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).