2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

C14H14N4S — CID 65353442

IUPAC2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1nc3ccccc3s1)CCCC2
InChIInChI=1S/C14H14N4S/c15-13-9-5-1-2-6-10(9)17-18(13)14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,1-2,5-6,15H2
InChIKeyAZUJBVAILOFHIW-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.94
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65353442) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65353442
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1nc3ccccc3s1)CCCC2
InChIInChI=1S/C14H14N4S/c15-13-9-5-1-2-6-10(9)17-18(13)14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,1-2,5-6,15H2
InChIKeyAZUJBVAILOFHIW-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65353442) is 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1-c1nc3ccccc3s1)CCCC2.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is AZUJBVAILOFHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-13-9-5-1-2-6-10(9)17-18(13)14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8H,1-2,5-6,15H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 270.36 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65353442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).