N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide

C10H10N4O3S2 — CID 104710390

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C10H10N4O3S2/c1-14-9(4-5-12-14)19(16,17)13-10-11-7-8(18-10)3-2-6-15/h4-5,7,15H,6H2,1H3,(H,11,13)
InChIKeyHNWHLAOVCMOYPU-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.02
Rot. Bonds3

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710390) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710390
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C10H10N4O3S2/c1-14-9(4-5-12-14)19(16,17)13-10-11-7-8(18-10)3-2-6-15/h4-5,7,15H,6H2,1H3,(H,11,13)
InChIKeyHNWHLAOVCMOYPU-UHFFFAOYSA-N
XLogP0.02
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide (CID 104710390) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is HNWHLAOVCMOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-14-9(4-5-12-14)19(16,17)13-10-11-7-8(18-10)3-2-6-15/h4-5,7,15H,6H2,1H3,(H,11,13).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).