4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one

C18H29N3O2S — CID 55922391

IUPAC4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCc1nc(C)c(C(=O)N2CCN(C(=O)CCC(C)C)CC2)s1
InChIInChI=1S/C18H29N3O2S/c1-5-6-15-19-14(4)17(24-15)18(23)21-11-9-20(10-12-21)16(22)8-7-13(2)3/h13H,5-12H2,1-4H3
InChIKeyWJCTTZCRWQOQBY-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.12
Rot. Bonds6

About 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one

4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 55922391) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID55922391
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCc1nc(C)c(C(=O)N2CCN(C(=O)CCC(C)C)CC2)s1
InChIInChI=1S/C18H29N3O2S/c1-5-6-15-19-14(4)17(24-15)18(23)21-11-9-20(10-12-21)16(22)8-7-13(2)3/h13H,5-12H2,1-4H3
InChIKeyWJCTTZCRWQOQBY-UHFFFAOYSA-N
XLogP3.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one with MolForge

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Related Compounds

(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122158834
methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 122151934
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 111561381
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
1-[4-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 49377676
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
1-[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387071
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62793947
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one (CID 55922391) is 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one is CCCc1nc(C)c(C(=O)N2CCN(C(=O)CCC(C)C)CC2)s1.
What is the InChIKey of 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is WJCTTZCRWQOQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-5-6-15-19-14(4)17(24-15)18(23)21-11-9-20(10-12-21)16(22)8-7-13(2)3/h13H,5-12H2,1-4H3.
What are the key properties of 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 351.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 55922391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).