(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

C15H24N2O3S2 — CID 122158834

IUPAC(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCCCc1nc(C)c(C(=O)N2CCC(CS(C)(=O)=O)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-4-5-13-16-11(2)14(21-13)15(18)17-8-6-12(7-9-17)10-22(3,19)20/h12H,4-10H2,1-3H3
InChIKeyBYNDSGVWNUVZAU-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.30
Rot. Bonds5

About (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 122158834) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID122158834
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCCCc1nc(C)c(C(=O)N2CCC(CS(C)(=O)=O)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-4-5-13-16-11(2)14(21-13)15(18)17-8-6-12(7-9-17)10-22(3,19)20/h12H,4-10H2,1-3H3
InChIKeyBYNDSGVWNUVZAU-UHFFFAOYSA-N
XLogP2.30
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
CID 55922391
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119644418
methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 122151934
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 111561381
7-[[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685909
2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
CID 119178283

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (CID 122158834) is (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is CCCc1nc(C)c(C(=O)N2CCC(CS(C)(=O)=O)CC2)s1.
What is the InChIKey of (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is BYNDSGVWNUVZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-5-13-16-11(2)14(21-13)15(18)17-8-6-12(7-9-17)10-22(3,19)20/h12H,4-10H2,1-3H3.
What are the key properties of (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 344.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122158834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).