N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide

C11H17N5O2S2 — CID 102691031

IUPACN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C11H17N5O2S2/c1-3-5-12-8(2)9-7-19-11(14-9)16-20(17,18)10-4-6-13-15-10/h4,6-8,12H,3,5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZKZAOKXPISXWMT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.73
Rot. Bonds7

About N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide

N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691031) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
PubChem CID102691031
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C11H17N5O2S2/c1-3-5-12-8(2)9-7-19-11(14-9)16-20(17,18)10-4-6-13-15-10/h4,6-8,12H,3,5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZKZAOKXPISXWMT-UHFFFAOYSA-N
XLogP1.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide (CID 102691031) is N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide is CCCNC(C)c1csc(NS(=O)(=O)c2ccn[nH]2)n1.
What is the InChIKey of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The InChIKey is ZKZAOKXPISXWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-5-12-8(2)9-7-19-11(14-9)16-20(17,18)10-4-6-13-15-10/h4,6-8,12H,3,5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).