2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine

C16H21N3S — CID 82026664

IUPAC2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2ccccc2)N2CCCC2)n1
InChIInChI=1S/C16H21N3S/c17-9-8-14-12-20-16(18-14)15(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,17H2
InChIKeyWBNVHFFKLVGVMH-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.83
Rot. Bonds5

About 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82026664) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82026664
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2ccccc2)N2CCCC2)n1
InChIInChI=1S/C16H21N3S/c17-9-8-14-12-20-16(18-14)15(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,17H2
InChIKeyWBNVHFFKLVGVMH-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 82026664) is 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(C(c2ccccc2)N2CCCC2)n1.
What is the InChIKey of 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is WBNVHFFKLVGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-9-8-14-12-20-16(18-14)15(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,17H2.
What are the key properties of 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82026664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).