1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone

C12H18N2OS — CID 82117127

IUPAC1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C)N2CCCC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-8-11(10(3)15)16-12(13-8)9(2)14-6-4-5-7-14/h9H,4-7H2,1-3H3
InChIKeyBJYYVSSMOVNKJK-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82117127) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82117127
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C)N2CCCC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-8-11(10(3)15)16-12(13-8)9(2)14-6-4-5-7-14/h9H,4-7H2,1-3H3
InChIKeyBJYYVSSMOVNKJK-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82122870
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
1-[2-(4-butan-2-ylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55116728
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
2-[1-(azepan-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688728
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
4-methyl-5-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 87904324
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone (CID 82117127) is 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C(C)N2CCCC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BJYYVSSMOVNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-11(10(3)15)16-12(13-8)9(2)14-6-4-5-7-14/h9H,4-7H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82117127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).