N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine

C14H19N3S — CID 79959113

IUPACN-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
SMILESCC1(C)CSCC(Nc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H19N3S/c1-14(2)6-12(8-18-9-14)16-11-4-3-10-7-15-17-13(10)5-11/h3-5,7,12,16H,6,8-9H2,1-2H3,(H,15,17)
InChIKeyKWOCSBXKKHWAEB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.51
Rot. Bonds2

About N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine

N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine (PubChem CID 79959113) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
PubChem CID79959113
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
SMILESCC1(C)CSCC(Nc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H19N3S/c1-14(2)6-12(8-18-9-14)16-11-4-3-10-7-15-17-13(10)5-11/h3-5,7,12,16H,6,8-9H2,1-2H3,(H,15,17)
InChIKeyKWOCSBXKKHWAEB-UHFFFAOYSA-N
XLogP3.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine 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 N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine?
The IUPAC name of N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine (CID 79959113) is N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine.
What is the SMILES notation for N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine?
The canonical SMILES for N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine is CC1(C)CSCC(Nc2ccc3cn[nH]c3c2)C1.
What is the InChIKey of N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine?
The InChIKey is KWOCSBXKKHWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2)6-12(8-18-9-14)16-11-4-3-10-7-15-17-13(10)5-11/h3-5,7,12,16H,6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine?
N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine has a molecular weight of 261.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine is sourced from PubChem (CID 79959113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).