2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine

C15H13N5S — CID 59618975

IUPAC2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3nccc4n[nH]c(C)c34)ccc2s1
InChIInChI=1S/C15H13N5S/c1-8-14-11(20-19-8)5-6-16-15(14)18-10-3-4-13-12(7-10)17-9(2)21-13/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyCWMSMNFXAHNGMK-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.93
Rot. Bonds2

About 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine

2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 59618975) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID59618975
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3nccc4n[nH]c(C)c34)ccc2s1
InChIInChI=1S/C15H13N5S/c1-8-14-11(20-19-8)5-6-16-15(14)18-10-3-4-13-12(7-10)17-9(2)21-13/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyCWMSMNFXAHNGMK-UHFFFAOYSA-N
XLogP3.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine (CID 59618975) is 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine is Cc1nc2cc(Nc3nccc4n[nH]c(C)c34)ccc2s1.
What is the InChIKey of 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is CWMSMNFXAHNGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-8-14-11(20-19-8)5-6-16-15(14)18-10-3-4-13-12(7-10)17-9(2)21-13/h3-7H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine?
2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 295.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 59618975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).