4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine

C10H8N4S — CID 117308131

IUPAC4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2scnc2c1
InChIInChI=1S/C10H8N4S/c11-10-7(4-13-14-10)6-1-2-9-8(3-6)12-5-15-9/h1-5H,(H3,11,13,14)
InChIKeyRWYVHXZOUFAPCR-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

About 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine

4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117308131) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
PubChem CID117308131
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2scnc2c1
InChIInChI=1S/C10H8N4S/c11-10-7(4-13-14-10)6-1-2-9-8(3-6)12-5-15-9/h1-5H,(H3,11,13,14)
InChIKeyRWYVHXZOUFAPCR-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117433991
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
5-(2-chlorophenyl)-1,3-benzothiazole
CID 178074687
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
CID 117360675
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
CID 117304063
4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
CID 117475755
5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole
CID 59282943
4-(1,3-benzothiazol-5-yl)-2-nitroaniline
CID 59282877
5-(1-methylindazol-5-yl)-1,3-benzothiazole
CID 59283010
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine (CID 117308131) is 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc2scnc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is RWYVHXZOUFAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-10-7(4-13-14-10)6-1-2-9-8(3-6)12-5-15-9/h1-5H,(H3,11,13,14).
What are the key properties of 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 216.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117308131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).