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

C14H22N2OS — CID 116969491

IUPAC[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
SMILESCN1CCC(c2csc(CC3(CO)CCC3)n2)C1
InChIInChI=1S/C14H22N2OS/c1-16-6-3-11(8-16)12-9-18-13(15-12)7-14(10-17)4-2-5-14/h9,11,17H,2-8,10H2,1H3
InChIKeyWJMONUHCFSYUSJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.27
Rot. Bonds4

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

[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol (PubChem CID 116969491) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
PubChem CID116969491
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
SMILESCN1CCC(c2csc(CC3(CO)CCC3)n2)C1
InChIInChI=1S/C14H22N2OS/c1-16-6-3-11(8-16)12-9-18-13(15-12)7-14(10-17)4-2-5-14/h9,11,17H,2-8,10H2,1H3
InChIKeyWJMONUHCFSYUSJ-UHFFFAOYSA-N
XLogP2.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.27
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]cyclobutyl]methanol?
The IUPAC name of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol (CID 116969491) is [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol is CN1CCC(c2csc(CC3(CO)CCC3)n2)C1.
What is the InChIKey of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol?
The InChIKey is WJMONUHCFSYUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16-6-3-11(8-16)12-9-18-13(15-12)7-14(10-17)4-2-5-14/h9,11,17H,2-8,10H2,1H3.
What are the key properties of [1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol?
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol has a molecular weight of 266.41 g/mol, XLogP of 2.27, 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]cyclobutyl]methanol is sourced from PubChem (CID 116969491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).