[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol

C12H18N2O2S — CID 82437678

IUPAC[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(CN2CCOCC2)nc1C1CC1
InChIInChI=1S/C12H18N2O2S/c15-8-10-12(9-1-2-9)13-11(17-10)7-14-3-5-16-6-4-14/h9,15H,1-8H2
InChIKeyXJJKZWPSLLEBTP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.35
Rot. Bonds4

About [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82437678) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82437678
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(CN2CCOCC2)nc1C1CC1
InChIInChI=1S/C12H18N2O2S/c15-8-10-12(9-1-2-9)13-11(17-10)7-14-3-5-16-6-4-14/h9,15H,1-8H2
InChIKeyXJJKZWPSLLEBTP-UHFFFAOYSA-N
XLogP1.35
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol (CID 82437678) is [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol is OCc1sc(CN2CCOCC2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is XJJKZWPSLLEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-8-10-12(9-1-2-9)13-11(17-10)7-14-3-5-16-6-4-14/h9,15H,1-8H2.
What are the key properties of [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 254.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82437678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).