(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine

C13H14N2S — CID 155390909

IUPAC(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ncsc1-c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H14N2S/c1-8-13(16-7-15-8)10-2-4-11-9(6-10)3-5-12(11)14/h2,4,6-7,12H,3,5,14H2,1H3/t12-/m0/s1
InChIKeyOADNJBLPHJBVCE-LBPRGKRZSA-N
MW230.34 g/mol
LogP3.06
Rot. Bonds1

About (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine

(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 155390909) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID155390909
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ncsc1-c1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H14N2S/c1-8-13(16-7-15-8)10-2-4-11-9(6-10)3-5-12(11)14/h2,4,6-7,12H,3,5,14H2,1H3/t12-/m0/s1
InChIKeyOADNJBLPHJBVCE-LBPRGKRZSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine (CID 155390909) is (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine is Cc1ncsc1-c1ccc2c(c1)CC[C@@H]2N.
What is the InChIKey of (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OADNJBLPHJBVCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-13(16-7-15-8)10-2-4-11-9(6-10)3-5-12(11)14/h2,4,6-7,12H,3,5,14H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 230.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 155390909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).