2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol

C14H14N2O2S2 — CID 111916789

IUPAC2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCC(NCc1cnc(-c2cccs2)s1)c1ccco1
InChIInChI=1S/C14H14N2O2S2/c17-9-11(12-3-1-5-18-12)15-7-10-8-16-14(20-10)13-4-2-6-19-13/h1-6,8,11,15,17H,7,9H2
InChIKeyGEQZHDJYRANVKT-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.29
Rot. Bonds6

About 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol

2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 111916789) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID111916789
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCC(NCc1cnc(-c2cccs2)s1)c1ccco1
InChIInChI=1S/C14H14N2O2S2/c17-9-11(12-3-1-5-18-12)15-7-10-8-16-14(20-10)13-4-2-6-19-13/h1-6,8,11,15,17H,7,9H2
InChIKeyGEQZHDJYRANVKT-UHFFFAOYSA-N
XLogP3.29
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
CID 111916731
[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 111916796
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204
[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 99791904
2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
CID 111470598
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257
2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
CID 111478435
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
CID 71913528
4-bromo-2-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]phenol
CID 111470423
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol (CID 111916789) is 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol is OCC(NCc1cnc(-c2cccs2)s1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is GEQZHDJYRANVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-9-11(12-3-1-5-18-12)15-7-10-8-16-14(20-10)13-4-2-6-19-13/h1-6,8,11,15,17H,7,9H2.
What are the key properties of 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 306.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 111916789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).