2-(1H-pyrazol-4-yl)-1,3-benzothiazole

C10H7N3S — CID 45077572

IUPAC2-(1H-pyrazol-4-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C10H7N3S/c1-2-4-9-8(3-1)13-10(14-9)7-5-11-12-6-7/h1-6H,(H,11,12)
InChIKeyFIDWSDWHERQYDU-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-1,3-benzothiazole

2-(1H-pyrazol-4-yl)-1,3-benzothiazole (PubChem CID 45077572) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1,3-benzothiazole
PubChem CID45077572
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-(1H-pyrazol-4-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C10H7N3S/c1-2-4-9-8(3-1)13-10(14-9)7-5-11-12-6-7/h1-6H,(H,11,12)
InChIKeyFIDWSDWHERQYDU-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-pyrazol-4-yl)-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
CID 16785010
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]aniline
CID 9580553
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
US8754233, 4-Benzothiazol-2-yl-1H-pyrazole-3,5-diamine
CID 15651033
US8754233, 4-Benzothiazol-2-yl-5-ethyl-1H-pyrazol-3-ylamine
CID 28285639
US8754233, 4-Benzothiazol-2-yl-5-cyclopropyl-2H-pyrazol-3-ylamine
CID 28285652
US8754233, 4-Benzothiazol-2-yl-5-methyl-1H-pyrazol-3-ylamine
CID 28286160

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-benzothiazole (CID 45077572) is 2-(1H-pyrazol-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1,3-benzothiazole is c1ccc2sc(-c3cn[nH]c3)nc2c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The InChIKey is FIDWSDWHERQYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-4-9-8(3-1)13-10(14-9)7-5-11-12-6-7/h1-6H,(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-yl)-1,3-benzothiazole?
2-(1H-pyrazol-4-yl)-1,3-benzothiazole has a molecular weight of 201.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 45077572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).