4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine

C11H10N4S — CID 117332699

IUPAC4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
SMILESCc1nc2ccc(-c3cn[nH]c3N)cc2s1
InChIInChI=1S/C11H10N4S/c1-6-14-9-3-2-7(4-10(9)16-6)8-5-13-15-11(8)12/h2-5H,1H3,(H3,12,13,15)
InChIKeyRMVVWUTVZRDUOH-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.58
Rot. Bonds1

About 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine

4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine (PubChem CID 117332699) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
PubChem CID117332699
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
SMILESCc1nc2ccc(-c3cn[nH]c3N)cc2s1
InChIInChI=1S/C11H10N4S/c1-6-14-9-3-2-7(4-10(9)16-6)8-5-13-15-11(8)12/h2-5H,1H3,(H3,12,13,15)
InChIKeyRMVVWUTVZRDUOH-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.58
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-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
CID 79518693
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
CID 117304063
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
CID 116993973
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
CID 70652343
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
2-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazole
CID 168774160

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine (CID 117332699) is 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine is Cc1nc2ccc(-c3cn[nH]c3N)cc2s1.
What is the InChIKey of 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine?
The InChIKey is RMVVWUTVZRDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-6-14-9-3-2-7(4-10(9)16-6)8-5-13-15-11(8)12/h2-5H,1H3,(H3,12,13,15).
What are the key properties of 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine?
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine has a molecular weight of 230.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117332699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).