2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide

C13H14FN5O3S2 — CID 66767961

IUPAC2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide
SMILESCc1[nH]nc(N)c1-c1nc2c(S(=O)(=O)NCCO)c(F)ccc2s1
InChIInChI=1S/C13H14FN5O3S2/c1-6-9(12(15)19-18-6)13-17-10-8(23-13)3-2-7(14)11(10)24(21,22)16-4-5-20/h2-3,16,20H,4-5H2,1H3,(H3,15,18,19)
InChIKeyQAILLNFYMHQEKZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.99
Rot. Bonds5

About 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide

2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide (PubChem CID 66767961) has the molecular formula C13H14FN5O3S2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide
PubChem CID66767961
Molecular FormulaC13H14FN5O3S2
Molecular Weight371.42 g/mol
Exact Mass371.05
IUPAC Name2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide
SMILESCc1[nH]nc(N)c1-c1nc2c(S(=O)(=O)NCCO)c(F)ccc2s1
InChIInChI=1S/C13H14FN5O3S2/c1-6-9(12(15)19-18-6)13-17-10-8(23-13)3-2-7(14)11(10)24(21,22)16-4-5-20/h2-3,16,20H,4-5H2,1H3,(H3,15,18,19)
InChIKeyQAILLNFYMHQEKZ-UHFFFAOYSA-N
XLogP0.99
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide?
The IUPAC name of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide (CID 66767961) is 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide.
What is the SMILES notation for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide?
The canonical SMILES for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide is Cc1[nH]nc(N)c1-c1nc2c(S(=O)(=O)NCCO)c(F)ccc2s1.
What is the InChIKey of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide?
The InChIKey is QAILLNFYMHQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O3S2/c1-6-9(12(15)19-18-6)13-17-10-8(23-13)3-2-7(14)11(10)24(21,22)16-4-5-20/h2-3,16,20H,4-5H2,1H3,(H3,15,18,19).
What are the key properties of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide?
2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide has a molecular weight of 371.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-(2-hydroxyethyl)-1,3-benzothiazole-4-sulfonamide is sourced from PubChem (CID 66767961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).