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

C18H22N2O2S2 — CID 119106925

IUPAC1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCC(C)COCC(NCc1csc(-c2ccsc2)n1)c1ccco1
InChIInChI=1S/C18H22N2O2S2/c1-13(2)9-21-10-16(17-4-3-6-22-17)19-8-15-12-24-18(20-15)14-5-7-23-11-14/h3-7,11-13,16,19H,8-10H2,1-2H3
InChIKeyCZHDZJQZUHZNAA-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.97
Rot. Bonds9

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

1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 119106925) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID119106925
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCC(C)COCC(NCc1csc(-c2ccsc2)n1)c1ccco1
InChIInChI=1S/C18H22N2O2S2/c1-13(2)9-21-10-16(17-4-3-6-22-17)19-8-15-12-24-18(20-15)14-5-7-23-11-14/h3-7,11-13,16,19H,8-10H2,1-2H3
InChIKeyCZHDZJQZUHZNAA-UHFFFAOYSA-N
XLogP4.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119110601
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 119110603
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119125275
(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95762918
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 115686479

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 119106925) is 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is CC(C)COCC(NCc1csc(-c2ccsc2)n1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is CZHDZJQZUHZNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-13(2)9-21-10-16(17-4-3-6-22-17)19-8-15-12-24-18(20-15)14-5-7-23-11-14/h3-7,11-13,16,19H,8-10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 362.52 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119106925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).