6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine

C11H9ClN4S — CID 91315344

IUPAC6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(Nc2nc3ccc(Cl)cc3s2)n[nH]1
InChIInChI=1S/C11H9ClN4S/c1-6-4-10(16-15-6)14-11-13-8-3-2-7(12)5-9(8)17-11/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyUUNZODFVVBQRRZ-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.72
Rot. Bonds2

About 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine

6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 91315344) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
PubChem CID91315344
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(Nc2nc3ccc(Cl)cc3s2)n[nH]1
InChIInChI=1S/C11H9ClN4S/c1-6-4-10(16-15-6)14-11-13-8-3-2-7(12)5-9(8)17-11/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyUUNZODFVVBQRRZ-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
4-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 114052440
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
CID 79527732
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
CID 108773602

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine (CID 91315344) is 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine is Cc1cc(Nc2nc3ccc(Cl)cc3s2)n[nH]1.
What is the InChIKey of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is UUNZODFVVBQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-6-4-10(16-15-6)14-11-13-8-3-2-7(12)5-9(8)17-11/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 264.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91315344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).