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

C18H16N6S — CID 68784386

IUPAC5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CNC2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C18H16N6S/c19-17-12(18-23-14-3-1-2-4-15(14)25-18)5-10(8-21-17)13-9-22-24-16(13)11-6-20-7-11/h1-5,8-9,11,20H,6-7H2,(H2,19,21)(H,22,24)
InChIKeyHVQNITGDVMWBEJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.02
Rot. Bonds3

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

5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine (PubChem CID 68784386) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine
PubChem CID68784386
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CNC2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C18H16N6S/c19-17-12(18-23-14-3-1-2-4-15(14)25-18)5-10(8-21-17)13-9-22-24-16(13)11-6-20-7-11/h1-5,8-9,11,20H,6-7H2,(H2,19,21)(H,22,24)
InChIKeyHVQNITGDVMWBEJ-UHFFFAOYSA-N
XLogP3.02
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine
CID 67520794
4-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117472108
4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 67521140
[3-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]phenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 67521234
4-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 162259948
3-(8-chloroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68785884
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 67520316
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]propanamide
CID 91422349
[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol
CID 68654823
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide
CID 143845749
3-(8-chloro-6-fluoroisoquinolin-3-yl)-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 68788419

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine (CID 68784386) is 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2C2CNC2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The InChIKey is HVQNITGDVMWBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c19-17-12(18-23-14-3-1-2-4-15(14)25-18)5-10(8-21-17)13-9-22-24-16(13)11-6-20-7-11/h1-5,8-9,11,20H,6-7H2,(H2,19,21)(H,22,24).
What are the key properties of 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine?
5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine has a molecular weight of 348.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-3-yl)-1H-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 68784386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).