1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C12H19N5O2S2 — CID 106031917

IUPAC1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCCNCCCn1cc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C12H19N5O2S2/c1-2-4-13-5-3-7-17-10-11(9-15-17)21(18,19)16-12-14-6-8-20-12/h6,8-10,13H,2-5,7H2,1H3,(H,14,16)
InChIKeyZNKWYFAWYCDXIB-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.53
Rot. Bonds9

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

1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 106031917) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID106031917
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCCNCCCn1cc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C12H19N5O2S2/c1-2-4-13-5-3-7-17-10-11(9-15-17)21(18,19)16-12-14-6-8-20-12/h6,8-10,13H,2-5,7H2,1H3,(H,14,16)
InChIKeyZNKWYFAWYCDXIB-UHFFFAOYSA-N
XLogP1.53
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513480
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106069221
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
CID 165473024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 106031917) is 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide is CCCNCCCn1cc(S(=O)(=O)Nc2nccs2)cn1.
What is the InChIKey of 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZNKWYFAWYCDXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-2-4-13-5-3-7-17-10-11(9-15-17)21(18,19)16-12-14-6-8-20-12/h6,8-10,13H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106031917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).