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

C10H16N2OS — CID 115621582

IUPAC1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(CNCC2(O)CCC2)cs1
InChIInChI=1S/C10H16N2OS/c1-8-12-9(6-14-8)5-11-7-10(13)3-2-4-10/h6,11,13H,2-5,7H2,1H3
InChIKeyKOEVGGYNWIQUFM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.46
Rot. Bonds4

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

1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 115621582) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID115621582
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(CNCC2(O)CCC2)cs1
InChIInChI=1S/C10H16N2OS/c1-8-12-9(6-14-8)5-11-7-10(13)3-2-4-10/h6,11,13H,2-5,7H2,1H3
InChIKeyKOEVGGYNWIQUFM-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 63129839
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
1-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210844
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129
N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 114284448
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
CID 64677705

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol (CID 115621582) is 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol is Cc1nc(CNCC2(O)CCC2)cs1.
What is the InChIKey of 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is KOEVGGYNWIQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-12-9(6-14-8)5-11-7-10(13)3-2-4-10/h6,11,13H,2-5,7H2,1H3.
What are the key properties of 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115621582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).