1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine

C11H19N3S — CID 79844711

IUPAC1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)Cc1cscn1
InChIInChI=1S/C11H19N3S/c1-14(7-10-8-15-9-13-10)6-5-11(12)3-2-4-11/h8-9H,2-7,12H2,1H3
InChIKeyOPRYWYZRFNMHIJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine

1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79844711) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79844711
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)Cc1cscn1
InChIInChI=1S/C11H19N3S/c1-14(7-10-8-15-9-13-10)6-5-11(12)3-2-4-11/h8-9H,2-7,12H2,1H3
InChIKeyOPRYWYZRFNMHIJ-UHFFFAOYSA-N
XLogP1.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
CID 65481332
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79842978
9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
CID 105344114
1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842495
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79849133
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N'-methyl-N'-(1,3-thiazol-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110740

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine (CID 79844711) is 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine is CN(CCC1(N)CCC1)Cc1cscn1.
What is the InChIKey of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is OPRYWYZRFNMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14(7-10-8-15-9-13-10)6-5-11(12)3-2-4-11/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79844711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).