3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol

C10H16N2OS — CID 66005707

IUPAC3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1nc(NCC2CC(O)C2)sc1C
InChIInChI=1S/C10H16N2OS/c1-6-7(2)14-10(12-6)11-5-8-3-9(13)4-8/h8-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyYGLMWTRNEUIZAD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.94
Rot. Bonds3

About 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol

3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66005707) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66005707
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1nc(NCC2CC(O)C2)sc1C
InChIInChI=1S/C10H16N2OS/c1-6-7(2)14-10(12-6)11-5-8-3-9(13)4-8/h8-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyYGLMWTRNEUIZAD-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106125446
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169706
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169165
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269830
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
CID 66005694
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 65169756
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol (CID 66005707) is 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol is Cc1nc(NCC2CC(O)C2)sc1C.
What is the InChIKey of 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is YGLMWTRNEUIZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-7(2)14-10(12-6)11-5-8-3-9(13)4-8/h8-9,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol?
3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).