2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide

C15H22N6O2S2 — CID 133307208

IUPAC2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C15H22N6O2S2/c1-12(19-15-18-10-14(24-15)25(16,22)23)11-20-6-8-21(9-7-20)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,19)(H2,16,22,23)
InChIKeyZNOMKGNJGDFHLV-UHFFFAOYSA-N
MW382.52 g/mol
LogP0.81
Rot. Bonds6

About 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide

2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133307208) has the molecular formula C15H22N6O2S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133307208
Molecular FormulaC15H22N6O2S2
Molecular Weight382.52 g/mol
Exact Mass382.12
IUPAC Name2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C15H22N6O2S2/c1-12(19-15-18-10-14(24-15)25(16,22)23)11-20-6-8-21(9-7-20)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,19)(H2,16,22,23)
InChIKeyZNOMKGNJGDFHLV-UHFFFAOYSA-N
XLogP0.81
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-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

5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 133307289
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide (CID 133307208) is 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide is CC(CN1CCN(c2ccccn2)CC1)Nc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZNOMKGNJGDFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S2/c1-12(19-15-18-10-14(24-15)25(16,22)23)11-20-6-8-21(9-7-20)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,19)(H2,16,22,23).
What are the key properties of 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide?
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 382.52 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133307208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).