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

C10H10N4O3S2 — CID 102693735

IUPACN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncc(C#CCCO)s1)c1ccn[nH]1
InChIInChI=1S/C10H10N4O3S2/c15-6-2-1-3-8-7-11-10(18-8)14-19(16,17)9-4-5-12-13-9/h4-5,7,15H,2,6H2,(H,11,14)(H,12,13)
InChIKeyVHWIVQLMLAUMLM-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.40
Rot. Bonds4

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

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693735) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
PubChem CID102693735
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncc(C#CCCO)s1)c1ccn[nH]1
InChIInChI=1S/C10H10N4O3S2/c15-6-2-1-3-8-7-11-10(18-8)14-19(16,17)9-4-5-12-13-9/h4-5,7,15H,2,6H2,(H,11,14)(H,12,13)
InChIKeyVHWIVQLMLAUMLM-UHFFFAOYSA-N
XLogP0.40
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide (CID 102693735) is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ncc(C#CCCO)s1)c1ccn[nH]1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
The InChIKey is VHWIVQLMLAUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c15-6-2-1-3-8-7-11-10(18-8)14-19(16,17)9-4-5-12-13-9/h4-5,7,15H,2,6H2,(H,11,14)(H,12,13).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide?
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).