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

C11H18N2S — CID 164652953

IUPAC[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
SMILESCc1nc(CC2(CN)CC(C)C2)cs1
InChIInChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-14-9(2)13-10/h6,8H,3-5,7,12H2,1-2H3
InChIKeyIVLCNAGDBKLFGO-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.37
Rot. Bonds3

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

[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine (PubChem CID 164652953) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
PubChem CID164652953
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
SMILESCc1nc(CC2(CN)CC(C)C2)cs1
InChIInChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-14-9(2)13-10/h6,8H,3-5,7,12H2,1-2H3
InChIKeyIVLCNAGDBKLFGO-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methanol
CID 66024342
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
CID 164652954
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 131162805
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 64762742
5-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79986577
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
CID 130712451

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine (CID 164652953) is [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine is Cc1nc(CC2(CN)CC(C)C2)cs1.
What is the InChIKey of [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine?
The InChIKey is IVLCNAGDBKLFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-3-11(4-8,7-12)5-10-6-14-9(2)13-10/h6,8H,3-5,7,12H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine?
[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 164652953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).