5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C14H15ClN2S — CID 81345201

IUPAC5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Cl)ccc21)c1nccs1
InChIInChI=1S/C14H15ClN2S/c1-9(14-16-6-7-18-14)17-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyGAWQULGSWUGVMX-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.13
Rot. Bonds3

About 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81345201) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81345201
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Cl)ccc21)c1nccs1
InChIInChI=1S/C14H15ClN2S/c1-9(14-16-6-7-18-14)17-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyGAWQULGSWUGVMX-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81328984
6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine
CID 83066795
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81300722
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
5-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 104584945
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81345201) is 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(Cl)ccc21)c1nccs1.
What is the InChIKey of 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GAWQULGSWUGVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-9(14-16-6-7-18-14)17-13-5-2-10-8-11(15)3-4-12(10)13/h3-4,6-9,13,17H,2,5H2,1H3.
What are the key properties of 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 278.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81345201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).