3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one

C18H24N2OS — CID 10018679

IUPAC3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCN(CC)CCC(=O)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C18H24N2OS/c1-5-20(6-2)12-11-16(21)17-14(4)19-18(22-17)15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3
InChIKeyGNYDVVJLTDXIGI-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.34
Rot. Bonds7

About 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one

3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 10018679) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID10018679
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCN(CC)CCC(=O)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C18H24N2OS/c1-5-20(6-2)12-11-16(21)17-14(4)19-18(22-17)15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3
InChIKeyGNYDVVJLTDXIGI-UHFFFAOYSA-N
XLogP4.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338611
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 70831549
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55835401

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one (CID 10018679) is 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one is CCN(CC)CCC(=O)c1sc(-c2ccc(C)cc2)nc1C.
What is the InChIKey of 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is GNYDVVJLTDXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-5-20(6-2)12-11-16(21)17-14(4)19-18(22-17)15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one?
3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 316.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 10018679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).