2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C16H23N3OS — CID 119107168

IUPAC2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2csc(C)n2)N2CCCC2)o1
InChIInChI=1S/C16H23N3OS/c1-12-5-6-16(20-12)15(19-7-3-4-8-19)10-17-9-14-11-21-13(2)18-14/h5-6,11,15,17H,3-4,7-10H2,1-2H3
InChIKeyGPOGPONEQWRMLU-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.28
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 119107168) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID119107168
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2csc(C)n2)N2CCCC2)o1
InChIInChI=1S/C16H23N3OS/c1-12-5-6-16(20-12)15(19-7-3-4-8-19)10-17-9-14-11-21-13(2)18-14/h5-6,11,15,17H,3-4,7-10H2,1-2H3
InChIKeyGPOGPONEQWRMLU-UHFFFAOYSA-N
XLogP3.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 119107168) is 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(CNCc2csc(C)n2)N2CCCC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is GPOGPONEQWRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-5-6-16(20-12)15(19-7-3-4-8-19)10-17-9-14-11-21-13(2)18-14/h5-6,11,15,17H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 119107168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).