1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone

C17H24N2OS — CID 91091827

IUPAC1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CSC(C)=C2C)cc1
InChIInChI=1S/C17H24N2OS/c1-5-18(6-2)16-9-7-15(8-10-16)17(20)11-19-12-21-14(4)13(19)3/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHRBQKGSSPIPSGV-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.97
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone

1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone (PubChem CID 91091827) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
PubChem CID91091827
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CSC(C)=C2C)cc1
InChIInChI=1S/C17H24N2OS/c1-5-18(6-2)16-9-7-15(8-10-16)17(20)11-19-12-21-14(4)13(19)3/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHRBQKGSSPIPSGV-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone (CID 91091827) is 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone is CCN(CC)c1ccc(C(=O)CN2CSC(C)=C2C)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is HRBQKGSSPIPSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-18(6-2)16-9-7-15(8-10-16)17(20)11-19-12-21-14(4)13(19)3/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 304.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 91091827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).