N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine

C15H19N3S — CID 103998333

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccc2c(c1)CNC2)c1nccs1
InChIInChI=1S/C15H19N3S/c1-2-14(15-17-5-6-19-15)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,14,16,18H,2,8-10H2,1H3
InChIKeyCORJMSASPUULGA-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.99
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 103998333) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID103998333
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccc2c(c1)CNC2)c1nccs1
InChIInChI=1S/C15H19N3S/c1-2-14(15-17-5-6-19-15)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,14,16,18H,2,8-10H2,1H3
InChIKeyCORJMSASPUULGA-UHFFFAOYSA-N
XLogP2.99
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine (CID 103998333) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ccc2c(c1)CNC2)c1nccs1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is CORJMSASPUULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-14(15-17-5-6-19-15)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,14,16,18H,2,8-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 103998333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).