1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone

C12H20N2OS — CID 82435586

IUPAC1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CC)c1nc(C(C)C)c(C(C)=O)s1
InChIInChI=1S/C12H20N2OS/c1-6-14(7-2)12-13-10(8(3)4)11(16-12)9(5)15/h8H,6-7H2,1-5H3
InChIKeyKJKMMXWQEXOSHS-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.32
Rot. Bonds5

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

1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 82435586) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
PubChem CID82435586
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CC)c1nc(C(C)C)c(C(C)=O)s1
InChIInChI=1S/C12H20N2OS/c1-6-14(7-2)12-13-10(8(3)4)11(16-12)9(5)15/h8H,6-7H2,1-5H3
InChIKeyKJKMMXWQEXOSHS-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82435587
[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435579
1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435157
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
2-[cyclopropyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393479
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407
2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392907
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396693
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
2-[(1-ethylpiperidin-4-yl)-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone (CID 82435586) is 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone is CCN(CC)c1nc(C(C)C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is KJKMMXWQEXOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-6-14(7-2)12-13-10(8(3)4)11(16-12)9(5)15/h8H,6-7H2,1-5H3.
What are the key properties of 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 240.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82435586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).