1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol

C14H18N2O2S — CID 111858753

IUPAC1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCN(Cc1csc(-c2ccoc2)n1)CC(O)C1CC1
InChIInChI=1S/C14H18N2O2S/c1-16(7-13(17)10-2-3-10)6-12-9-19-14(15-12)11-4-5-18-8-11/h4-5,8-10,13,17H,2-3,6-7H2,1H3
InChIKeyKSJVLALWOHWMRQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol

1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol (PubChem CID 111858753) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
PubChem CID111858753
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCN(Cc1csc(-c2ccoc2)n1)CC(O)C1CC1
InChIInChI=1S/C14H18N2O2S/c1-16(7-13(17)10-2-3-10)6-12-9-19-14(15-12)11-4-5-18-8-11/h4-5,8-10,13,17H,2-3,6-7H2,1H3
InChIKeyKSJVLALWOHWMRQ-UHFFFAOYSA-N
XLogP2.61
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol (CID 111858753) is 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol is CN(Cc1csc(-c2ccoc2)n1)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is KSJVLALWOHWMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(7-13(17)10-2-3-10)6-12-9-19-14(15-12)11-4-5-18-8-11/h4-5,8-10,13,17H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 111858753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).