1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C11H14N2OS — CID 63280404

IUPAC1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNC(C)c1ccco1
InChIInChI=1S/C11H14N2OS/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3
InChIKeyCUIONRXKUPVSOV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.90
Rot. Bonds4

About 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 63280404) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID63280404
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNC(C)c1ccco1
InChIInChI=1S/C11H14N2OS/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3
InChIKeyCUIONRXKUPVSOV-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 63280404) is 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is CUIONRXKUPVSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(10-4-3-5-14-10)12-6-11-9(2)13-7-15-11/h3-5,7-8,12H,6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63280404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).