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

C13H20N2OS — CID 116891068

IUPAC[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
SMILESCN1CCC(c2nc(C3(CO)CCC3)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-15-6-3-10(7-15)12-14-11(8-17-12)13(9-16)4-2-5-13/h8,10,16H,2-7,9H2,1H3
InChIKeyAGCOMPMQYGOUIS-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.98
Rot. Bonds3

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

[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol (PubChem CID 116891068) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
PubChem CID116891068
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
SMILESCN1CCC(c2nc(C3(CO)CCC3)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-15-6-3-10(7-15)12-14-11(8-17-12)13(9-16)4-2-5-13/h8,10,16H,2-7,9H2,1H3
InChIKeyAGCOMPMQYGOUIS-UHFFFAOYSA-N
XLogP1.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116890832
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
CID 116969491
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
[1-(2-cyclohexyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 116890992
1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 116890816
4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 20628054
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
CID 116969358
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116865503
2-(1-methylpyrrolidin-3-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole;oxalic acid
CID 18941108
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The IUPAC name of [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol (CID 116891068) is [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol is CN1CCC(c2nc(C3(CO)CCC3)cs2)C1.
What is the InChIKey of [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
The InChIKey is AGCOMPMQYGOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15-6-3-10(7-15)12-14-11(8-17-12)13(9-16)4-2-5-13/h8,10,16H,2-7,9H2,1H3.
What are the key properties of [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol?
[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol has a molecular weight of 252.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol is sourced from PubChem (CID 116891068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).