2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C14H23N3OS — CID 62873461

IUPAC2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2NC1CCCSC1
InChIInChI=1S/C14H23N3OS/c18-7-6-17-14-5-1-4-13(12(14)9-15-17)16-11-3-2-8-19-10-11/h9,11,13,16,18H,1-8,10H2
InChIKeySLLLXFZVJMKTMX-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 62873461) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID62873461
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2NC1CCCSC1
InChIInChI=1S/C14H23N3OS/c18-7-6-17-14-5-1-4-13(12(14)9-15-17)16-11-3-2-8-19-10-11/h9,11,13,16,18H,1-8,10H2
InChIKeySLLLXFZVJMKTMX-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 62873461) is 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is OCCn1ncc2c1CCCC2NC1CCCSC1.
What is the InChIKey of 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is SLLLXFZVJMKTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c18-7-6-17-14-5-1-4-13(12(14)9-15-17)16-11-3-2-8-19-10-11/h9,11,13,16,18H,1-8,10H2.
What are the key properties of 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 281.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 62873461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).