1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol

C13H18N2O2S — CID 55112277

IUPAC1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccoc2C)sc1C(C)O
InChIInChI=1S/C13H18N2O2S/c1-8-12(9(2)16)18-13(14-8)15(4)7-11-5-6-17-10(11)3/h5-6,9,16H,7H2,1-4H3
InChIKeyHOFABWQZLQXATQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55112277) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55112277
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccoc2C)sc1C(C)O
InChIInChI=1S/C13H18N2O2S/c1-8-12(9(2)16)18-13(14-8)15(4)7-11-5-6-17-10(11)3/h5-6,9,16H,7H2,1-4H3
InChIKeyHOFABWQZLQXATQ-UHFFFAOYSA-N
XLogP3.04
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol (CID 55112277) is 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)Cc2ccoc2C)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is HOFABWQZLQXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-12(9(2)16)18-13(14-8)15(4)7-11-5-6-17-10(11)3/h5-6,9,16H,7H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 266.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).