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

C15H11N5S — CID 66768288

IUPAC4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H11N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-8H,(H3,16,19,20)
InChIKeyGGAAAMMDACJLAC-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.33
Rot. Bonds2

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

4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 66768288) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID66768288
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H11N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-8H,(H3,16,19,20)
InChIKeyGGAAAMMDACJLAC-UHFFFAOYSA-N
XLogP3.33
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
CID 16785010
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
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
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine
CID 68778984
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
4-phenyl-2-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1,3-thiazole
CID 90643529
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 162671557
N4-(4-(benzo[d]thiazol-2-yl)phenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine
CID 44564747
4-(1,3-benzothiazol-2-yl)-N~5~-phenyl-1H-pyrazole-3,5-diamine
CID 86340067

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine (CID 66768288) is 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccncc2)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is GGAAAMMDACJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-8H,(H3,16,19,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine?
4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 293.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-5-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 66768288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).