3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol

C10H16N2OS — CID 66006508

IUPAC3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(CNCC2CC(O)C2)cs1
InChIInChI=1S/C10H16N2OS/c1-7-12-9(6-14-7)5-11-4-8-2-10(13)3-8/h6,8,10-11,13H,2-5H2,1H3
InChIKeyZNIDDLUSPVAABC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.31
Rot. Bonds4

About 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66006508) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66006508
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(CNCC2CC(O)C2)cs1
InChIInChI=1S/C10H16N2OS/c1-7-12-9(6-14-7)5-11-4-8-2-10(13)3-8/h6,8,10-11,13H,2-5H2,1H3
InChIKeyZNIDDLUSPVAABC-UHFFFAOYSA-N
XLogP1.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 63046471
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856314
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79604712
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103243336
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol (CID 66006508) is 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol is Cc1nc(CNCC2CC(O)C2)cs1.
What is the InChIKey of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ZNIDDLUSPVAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-12-9(6-14-7)5-11-4-8-2-10(13)3-8/h6,8,10-11,13H,2-5H2,1H3.
What are the key properties of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).