6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine

C16H19ClN2S — CID 83066967

IUPAC6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCc1cscn1
InChIInChI=1S/C16H19ClN2S/c1-16(2)8-11-3-4-12(17)7-14(11)15(16)18-6-5-13-9-20-10-19-13/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3
InChIKeyFIUNZNOHGDQUOR-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.25
Rot. Bonds4

About 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine (PubChem CID 83066967) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine
PubChem CID83066967
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCc1cscn1
InChIInChI=1S/C16H19ClN2S/c1-16(2)8-11-3-4-12(17)7-14(11)15(16)18-6-5-13-9-20-10-19-13/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3
InChIKeyFIUNZNOHGDQUOR-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-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 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine (CID 83066967) is 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCc1cscn1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine?
The InChIKey is FIUNZNOHGDQUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-16(2)8-11-3-4-12(17)7-14(11)15(16)18-6-5-13-9-20-10-19-13/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine has a molecular weight of 306.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).