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

C14H16N2OS — CID 107682370

IUPAC1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCCc1cscn1
InChIInChI=1S/C14H16N2OS/c17-12-2-3-13-10(7-12)1-4-14(13)15-6-5-11-8-18-9-16-11/h2-3,7-9,14-15,17H,1,4-6H2
InChIKeyKPLUVWHQECOBLX-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.67
Rot. Bonds4

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

1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682370) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682370
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCCc1cscn1
InChIInChI=1S/C14H16N2OS/c17-12-2-3-13-10(7-12)1-4-14(13)15-6-5-11-8-18-9-16-11/h2-3,7-9,14-15,17H,1,4-6H2
InChIKeyKPLUVWHQECOBLX-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
8-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 63829914
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-[2-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682224
5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917393

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol (CID 107682370) is 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2NCCc1cscn1.
What is the InChIKey of 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KPLUVWHQECOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-12-2-3-13-10(7-12)1-4-14(13)15-6-5-11-8-18-9-16-11/h2-3,7-9,14-15,17H,1,4-6H2.
What are the key properties of 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 260.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).