4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine

C19H14N6S — CID 66768396

IUPAC4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine
SMILESNc1[nH]nc(Nc2cccc3cccnc23)c1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N6S/c20-17-15(19-23-12-7-1-2-9-14(12)26-19)18(25-24-17)22-13-8-3-5-11-6-4-10-21-16(11)13/h1-10H,(H4,20,22,24,25)
InChIKeyDJTUZMXCNMIEDW-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.56
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine

4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine (PubChem CID 66768396) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine
PubChem CID66768396
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine
SMILESNc1[nH]nc(Nc2cccc3cccnc23)c1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N6S/c20-17-15(19-23-12-7-1-2-9-14(12)26-19)18(25-24-17)22-13-8-3-5-11-6-4-10-21-16(11)13/h1-10H,(H4,20,22,24,25)
InChIKeyDJTUZMXCNMIEDW-UHFFFAOYSA-N
XLogP4.56
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-yl)-3-N-quinolin-5-yl-1H-pyrazole-3,5-diamine
CID 66768411
3-N-(4-aminophenyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
CID 66768481
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
4-(1,3-benzothiazol-2-yl)-3-N-(3-methylbutyl)-1H-pyrazole-3,5-diamine
CID 66768018
2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
CID 63230957
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144764
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 81447920
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
N-pyridin-2-ylquinolin-8-amine
CID 82537542
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 79525571

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine (CID 66768396) is 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine is Nc1[nH]nc(Nc2cccc3cccnc23)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine?
The InChIKey is DJTUZMXCNMIEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c20-17-15(19-23-12-7-1-2-9-14(12)26-19)18(25-24-17)22-13-8-3-5-11-6-4-10-21-16(11)13/h1-10H,(H4,20,22,24,25).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine?
4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine has a molecular weight of 358.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-3-N-quinolin-8-yl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 66768396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).