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

C12H12N4OS — CID 66767985

IUPAC4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc2sc(-c3c(N)n[nH]c3C)nc2c1
InChIInChI=1S/C12H12N4OS/c1-6-10(11(13)16-15-6)12-14-8-5-7(17-2)3-4-9(8)18-12/h3-5H,1-2H3,(H3,13,15,16)
InChIKeyPNNINDSPAQWMTR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.59
Rot. Bonds2

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

4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 66767985) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
PubChem CID66767985
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc2sc(-c3c(N)n[nH]c3C)nc2c1
InChIInChI=1S/C12H12N4OS/c1-6-10(11(13)16-15-6)12-14-8-5-7(17-2)3-4-9(8)18-12/h3-5H,1-2H3,(H3,13,15,16)
InChIKeyPNNINDSPAQWMTR-UHFFFAOYSA-N
XLogP2.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-5-yl] ethyl carbonate
CID 66768513
carbamoyl 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-5-sulfonate
CID 91074111
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744066
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
5-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 66768027
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
carbamoyl 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-6-sulfonate
CID 91103831
2-(3-amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-N-methyl-1,3-benzothiazole-6-sulfonamide
CID 66768183
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine (CID 66767985) is 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine is COc1ccc2sc(-c3c(N)n[nH]c3C)nc2c1.
What is the InChIKey of 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is PNNINDSPAQWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-6-10(11(13)16-15-6)12-14-8-5-7(17-2)3-4-9(8)18-12/h3-5H,1-2H3,(H3,13,15,16).
What are the key properties of 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine?
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 260.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 66767985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).