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

C12H14F2N2OS2 — CID 62197469

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCc2nccs2)o1
InChIInChI=1S/C12H14F2N2OS2/c13-12(14)19-8-10-2-1-9(17-10)7-15-4-3-11-16-5-6-18-11/h1-2,5-6,12,15H,3-4,7-8H2
InChIKeyOPURDOUFBJUGQT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.52
Rot. Bonds8

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 62197469) has the molecular formula C12H14F2N2OS2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID62197469
Molecular FormulaC12H14F2N2OS2
Molecular Weight304.39 g/mol
Exact Mass304.05
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCc2nccs2)o1
InChIInChI=1S/C12H14F2N2OS2/c13-12(14)19-8-10-2-1-9(17-10)7-15-4-3-11-16-5-6-18-11/h1-2,5-6,12,15H,3-4,7-8H2
InChIKeyOPURDOUFBJUGQT-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003032
2-(2-Furyl)thiazole
CID 526186
N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 71910314
1-(2-furylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-3-piperidinecarboxamide
CID 72838152
N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 27368797
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 40053007
6-(furan-2-yl)-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 72046663
N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 84594301
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 86779546
N-(furan-2-ylmethyl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96112203
(1S)-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-1-(1,3-thiazol-2-yl)methanamine
CID 99833048
5-Iodofurylthiazole
CID 129781609

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 62197469) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is FC(F)SCc1ccc(CNCCc2nccs2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is OPURDOUFBJUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS2/c13-12(14)19-8-10-2-1-9(17-10)7-15-4-3-11-16-5-6-18-11/h1-2,5-6,12,15H,3-4,7-8H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62197469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).