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

C15H22N2OS — CID 67349266

IUPAC1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one
SMILESCc1nc(C2CCCCC2)sc1C(=O)C=CN(C)C
InChIInChI=1S/C15H22N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyHRHLTKQUXJAHJT-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.76
Rot. Bonds4

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

1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one (PubChem CID 67349266) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one
PubChem CID67349266
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one
SMILESCc1nc(C2CCCCC2)sc1C(=O)C=CN(C)C
InChIInChI=1S/C15H22N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyHRHLTKQUXJAHJT-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.76
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 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one (CID 67349266) is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one is Cc1nc(C2CCCCC2)sc1C(=O)C=CN(C)C.
What is the InChIKey of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is HRHLTKQUXJAHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-14(13(18)9-10-17(2)3)19-15(16-11)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one?
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 278.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 67349266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).