2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole

C13H17N3S — CID 163659407

IUPAC2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
SMILESCCCn1nc2c(c1-c1nccs1)CCCC2
InChIInChI=1S/C13H17N3S/c1-2-8-16-12(13-14-7-9-17-13)10-5-3-4-6-11(10)15-16/h7,9H,2-6,8H2,1H3
InChIKeyITCCTMLCTXFBEM-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole

2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole (PubChem CID 163659407) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
PubChem CID163659407
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
SMILESCCCn1nc2c(c1-c1nccs1)CCCC2
InChIInChI=1S/C13H17N3S/c1-2-8-16-12(13-14-7-9-17-13)10-5-3-4-6-11(10)15-16/h7,9H,2-6,8H2,1H3
InChIKeyITCCTMLCTXFBEM-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole (CID 163659407) is 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole is CCCn1nc2c(c1-c1nccs1)CCCC2.
What is the InChIKey of 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The InChIKey is ITCCTMLCTXFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-8-16-12(13-14-7-9-17-13)10-5-3-4-6-11(10)15-16/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole has a molecular weight of 247.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 163659407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).