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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Related Compounds

N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 91885439
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
(1H-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
N4-(3-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224695
N-(pyridin-2-yl)-5,6-dihydro-4H-thiazolo[4,5-e]indazol-2-amine
CID 46700737
N-(6-methylpyridin-2-yl)-5,6-dihydro-4H-thiazolo[4,5-e]indazol-2-amine
CID 46836497

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).