1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C15H19N3S — CID 60961154

IUPAC1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(N2CCCC2)c(CNCc2nccs2)c1
InChIInChI=1S/C15H19N3S/c1-2-6-14(18-8-3-4-9-18)13(5-1)11-16-12-15-17-7-10-19-15/h1-2,5-7,10,16H,3-4,8-9,11-12H2
InChIKeyQZKJUZWFEUNTEZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60961154) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60961154
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(N2CCCC2)c(CNCc2nccs2)c1
InChIInChI=1S/C15H19N3S/c1-2-6-14(18-8-3-4-9-18)13(5-1)11-16-12-15-17-7-10-19-15/h1-2,5-7,10,16H,3-4,8-9,11-12H2
InChIKeyQZKJUZWFEUNTEZ-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60961154) is 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(N2CCCC2)c(CNCc2nccs2)c1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is QZKJUZWFEUNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-6-14(18-8-3-4-9-18)13(5-1)11-16-12-15-17-7-10-19-15/h1-2,5-7,10,16H,3-4,8-9,11-12H2.
What are the key properties of 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60961154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).