5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C13H13ClN2S — CID 81334093

IUPAC5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1cscn1)C2
InChIInChI=1S/C13H13ClN2S/c14-11-2-1-9-4-12(5-10(9)3-11)15-6-13-7-17-8-16-13/h1-3,7-8,12,15H,4-6H2
InChIKeyOWJZMHGLPNUWRV-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81334093) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81334093
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1cscn1)C2
InChIInChI=1S/C13H13ClN2S/c14-11-2-1-9-4-12(5-10(9)3-11)15-6-13-7-17-8-16-13/h1-3,7-8,12,15H,4-6H2
InChIKeyOWJZMHGLPNUWRV-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 81334093) is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCc1cscn1)C2.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OWJZMHGLPNUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-2-1-9-4-12(5-10(9)3-11)15-6-13-7-17-8-16-13/h1-3,7-8,12,15H,4-6H2.
What are the key properties of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 264.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81334093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).