N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine

C14H11N5S — CID 68778984

IUPACN-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc4ncsc4c3)c12
InChIInChI=1S/C14H11N5S/c1-8-13-11(19-18-8)4-5-15-14(13)17-9-2-3-10-12(6-9)20-7-16-10/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyLVZTVDVAZNXIHG-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.62
Rot. Bonds2

About N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine

N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 68778984) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID68778984
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC NameN-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc4ncsc4c3)c12
InChIInChI=1S/C14H11N5S/c1-8-13-11(19-18-8)4-5-15-14(13)17-9-2-3-10-12(6-9)20-7-16-10/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyLVZTVDVAZNXIHG-UHFFFAOYSA-N
XLogP3.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine (CID 68778984) is N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine is Cc1[nH]nc2ccnc(Nc3ccc4ncsc4c3)c12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is LVZTVDVAZNXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-8-13-11(19-18-8)4-5-15-14(13)17-9-2-3-10-12(6-9)20-7-16-10/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine?
N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 281.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 68778984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).