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

C12H16N2OS — CID 81400379

IUPAC(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCN[C@H](C)c1ccco1
InChIInChI=1S/C12H16N2OS/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyXCJFVFSLOARAAD-SECBINFHSA-N
MW236.34 g/mol
LogP2.94
Rot. Bonds5

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

(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 81400379) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID81400379
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCN[C@H](C)c1ccco1
InChIInChI=1S/C12H16N2OS/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyXCJFVFSLOARAAD-SECBINFHSA-N
XLogP2.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.94
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
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 81400379) is (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ncsc1CCN[C@H](C)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is XCJFVFSLOARAAD-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(11-4-3-7-15-11)13-6-5-12-10(2)14-8-16-12/h3-4,7-9,13H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81400379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).