4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide

C12H22N4O2S2 — CID 122566299

IUPAC4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCCCc1nc(CNS(=O)(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C12H22N4O2S2/c1-3-4-12-14-11(10-19-12)9-13-20(17,18)16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyUZEVAKNGFPPMSF-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.68
Rot. Bonds6

About 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide

4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 122566299) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID122566299
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCCCc1nc(CNS(=O)(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C12H22N4O2S2/c1-3-4-12-14-11(10-19-12)9-13-20(17,18)16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyUZEVAKNGFPPMSF-UHFFFAOYSA-N
XLogP0.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide 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

1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 3237999
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 47397823
4-[(4-Ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 51086499
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 53512876
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
CID 71869004
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 61295888
4-[(2-Propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 71996871
2-Cyclopropyl-4-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 86796294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide (CID 122566299) is 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide is CCCc1nc(CNS(=O)(=O)N2CCN(C)CC2)cs1.
What is the InChIKey of 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is UZEVAKNGFPPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-4-12-14-11(10-19-12)9-13-20(17,18)16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide?
4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 122566299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).