2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C13H14N2S — CID 112641294

IUPAC2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cncs1
InChIInChI=1S/C13H14N2S/c14-13-10(6-11-7-15-8-16-11)5-9-3-1-2-4-12(9)13/h1-4,7-8,10,13H,5-6,14H2
InChIKeyJJRWOTBRODEMGS-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.56
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 112641294) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID112641294
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cc1cncs1
InChIInChI=1S/C13H14N2S/c14-13-10(6-11-7-15-8-16-11)5-9-3-1-2-4-12(9)13/h1-4,7-8,10,13H,5-6,14H2
InChIKeyJJRWOTBRODEMGS-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 112643810
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 112641294) is 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JJRWOTBRODEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-13-10(6-11-7-15-8-16-11)5-9-3-1-2-4-12(9)13/h1-4,7-8,10,13H,5-6,14H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 230.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 112641294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).