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

C10H14N2OS — CID 67269497

IUPAC3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1nc(C)c(C(=O)C=CN(C)C)s1
InChIInChI=1S/C10H14N2OS/c1-7-10(14-8(2)11-7)9(13)5-6-12(3)4/h5-6H,1-4H3
InChIKeyNCHMJHFUGUCVFT-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.02
Rot. Bonds3

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

3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one (PubChem CID 67269497) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
PubChem CID67269497
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
SMILESCc1nc(C)c(C(=O)C=CN(C)C)s1
InChIInChI=1S/C10H14N2OS/c1-7-10(14-8(2)11-7)9(13)5-6-12(3)4/h5-6H,1-4H3
InChIKeyNCHMJHFUGUCVFT-UHFFFAOYSA-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 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one (CID 67269497) is 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one is Cc1nc(C)c(C(=O)C=CN(C)C)s1.
What is the InChIKey of 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one?
The InChIKey is NCHMJHFUGUCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-10(14-8(2)11-7)9(13)5-6-12(3)4/h5-6H,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-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 3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 67269497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).