2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine

C12H12N4OS — CID 82192583

IUPAC2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCOc1ccc2nc(-n3nc(C)cc3N)sc2c1
InChIInChI=1S/C12H12N4OS/c1-7-5-11(13)16(15-7)12-14-9-4-3-8(17-2)6-10(9)18-12/h3-6H,13H2,1-2H3
InChIKeyKGYVTYNIAMSGDM-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.38
Rot. Bonds2

About 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine

2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (PubChem CID 82192583) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
PubChem CID82192583
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCOc1ccc2nc(-n3nc(C)cc3N)sc2c1
InChIInChI=1S/C12H12N4OS/c1-7-5-11(13)16(15-7)12-14-9-4-3-8(17-2)6-10(9)18-12/h3-6H,13H2,1-2H3
InChIKeyKGYVTYNIAMSGDM-UHFFFAOYSA-N
XLogP2.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-methylquinoxalin-2-amine
CID 108773455
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108755100
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]thiophene-2-sulfonamide
CID 108781240
2-methoxy-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4,5-dimethylbenzenesulfonamide
CID 108781239
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
CID 158604119
CID 158604119
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide
CID 108731523
4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378409
2-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378406
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methylphenoxy)propanamide
CID 108811254
2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 2421626

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (CID 82192583) is 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is COc1ccc2nc(-n3nc(C)cc3N)sc2c1.
What is the InChIKey of 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The InChIKey is KGYVTYNIAMSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-5-11(13)16(15-7)12-14-9-4-3-8(17-2)6-10(9)18-12/h3-6H,13H2,1-2H3.
What are the key properties of 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine has a molecular weight of 260.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 82192583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).