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

C16H19ClN2S — CID 83066795

IUPAC6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC(NC1c2cc(Cl)ccc2CC1(C)C)c1nccs1
InChIInChI=1S/C16H19ClN2S/c1-10(15-18-6-7-20-15)19-14-13-8-12(17)5-4-11(13)9-16(14,2)3/h4-8,10,14,19H,9H2,1-3H3
InChIKeyKBONCECRELYYEW-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.77
Rot. Bonds3

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

6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine (PubChem CID 83066795) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine
PubChem CID83066795
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC(NC1c2cc(Cl)ccc2CC1(C)C)c1nccs1
InChIInChI=1S/C16H19ClN2S/c1-10(15-18-6-7-20-15)19-14-13-8-12(17)5-4-11(13)9-16(14,2)3/h4-8,10,14,19H,9H2,1-3H3
InChIKeyKBONCECRELYYEW-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-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-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine (CID 83066795) is 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine is CC(NC1c2cc(Cl)ccc2CC1(C)C)c1nccs1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine?
The InChIKey is KBONCECRELYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-10(15-18-6-7-20-15)19-14-13-8-12(17)5-4-11(13)9-16(14,2)3/h4-8,10,14,19H,9H2,1-3H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine has a molecular weight of 306.86 g/mol, XLogP of 4.77, 3 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-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).