[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol

C13H20N2OS — CID 116969358

IUPAC[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
SMILESCN1CCC(c2csc(CC3(CO)CC3)n2)C1
InChIInChI=1S/C13H20N2OS/c1-15-5-2-10(7-15)11-8-17-12(14-11)6-13(9-16)3-4-13/h8,10,16H,2-7,9H2,1H3
InChIKeyMJMOGSOEBCFXSL-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.88
Rot. Bonds4

About [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol

[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol (PubChem CID 116969358) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
PubChem CID116969358
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
SMILESCN1CCC(c2csc(CC3(CO)CC3)n2)C1
InChIInChI=1S/C13H20N2OS/c1-15-5-2-10(7-15)11-8-17-12(14-11)6-13(9-16)3-4-13/h8,10,16H,2-7,9H2,1H3
InChIKeyMJMOGSOEBCFXSL-UHFFFAOYSA-N
XLogP1.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol (CID 116969358) is [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol is CN1CCC(c2csc(CC3(CO)CC3)n2)C1.
What is the InChIKey of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The InChIKey is MJMOGSOEBCFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15-5-2-10(7-15)11-8-17-12(14-11)6-13(9-16)3-4-13/h8,10,16H,2-7,9H2,1H3.
What are the key properties of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol has a molecular weight of 252.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 116969358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).