1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol

C14H20N2O2S — CID 78964237

IUPAC1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1csc(-c2ccco2)n1)CC(C)(C)O
InChIInChI=1S/C14H20N2O2S/c1-4-16(10-14(2,3)17)8-11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9,17H,4,8,10H2,1-3H3
InChIKeyWGDNQZVYYGKTHF-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.00
Rot. Bonds6

About 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 78964237) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID78964237
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1csc(-c2ccco2)n1)CC(C)(C)O
InChIInChI=1S/C14H20N2O2S/c1-4-16(10-14(2,3)17)8-11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9,17H,4,8,10H2,1-3H3
InChIKeyWGDNQZVYYGKTHF-UHFFFAOYSA-N
XLogP3.00
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol (CID 78964237) is 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1csc(-c2ccco2)n1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is WGDNQZVYYGKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-16(10-14(2,3)17)8-11-9-19-13(15-11)12-6-5-7-18-12/h5-7,9,17H,4,8,10H2,1-3H3.
What are the key properties of 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78964237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).