[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

C14H16N2S — CID 112645153

IUPAC[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2cncs2)CCc2ccccc21
InChIInChI=1S/C14H16N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7,9,15H2
InChIKeyPNHHNMWCLYJTSU-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.53
Rot. Bonds3

About [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (PubChem CID 112645153) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
PubChem CID112645153
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(Cc2cncs2)CCc2ccccc21
InChIInChI=1S/C14H16N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7,9,15H2
InChIKeyPNHHNMWCLYJTSU-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (CID 112645153) is [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is NCC1(Cc2cncs2)CCc2ccccc21.
What is the InChIKey of [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is PNHHNMWCLYJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-9-14(7-12-8-16-10-17-12)6-5-11-3-1-2-4-13(11)14/h1-4,8,10H,5-7,9,15H2.
What are the key properties of [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 112645153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).