5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C15H17ClN2S — CID 103777234

IUPAC5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Cl)ccc32)cs1
InChIInChI=1S/C15H17ClN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3
InChIKeyXWDYHXAVMAOWOB-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103777234) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103777234
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nc(CCNC2CCc3cc(Cl)ccc32)cs1
InChIInChI=1S/C15H17ClN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3
InChIKeyXWDYHXAVMAOWOB-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 81323700
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682370
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 102609539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103777234) is 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1nc(CCNC2CCc3cc(Cl)ccc32)cs1.
What is the InChIKey of 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XWDYHXAVMAOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-18-13(9-19-10)6-7-17-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,8-9,15,17H,2,5-7H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 292.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103777234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).