1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C15H18N2S — CID 116884493

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc3c(c2)CCC3)sc1C(C)N
InChIInChI=1S/C15H18N2S/c1-9(16)14-10(2)17-15(18-14)13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,16H2,1-2H3
InChIKeyOCCUYJHHSSGSDS-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.63
Rot. Bonds2

About 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 116884493) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID116884493
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc3c(c2)CCC3)sc1C(C)N
InChIInChI=1S/C15H18N2S/c1-9(16)14-10(2)17-15(18-14)13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,16H2,1-2H3
InChIKeyOCCUYJHHSSGSDS-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-ol
CID 116886008
[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]hydrazine
CID 116887764
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
1-[2-(1,3-benzoxazol-6-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884498
1-[2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61283062
1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 114938151
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282663
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55056781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 116884493) is 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc3c(c2)CCC3)sc1C(C)N.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OCCUYJHHSSGSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-9(16)14-10(2)17-15(18-14)13-7-6-11-4-3-5-12(11)8-13/h6-9H,3-5,16H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 116884493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).