2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

C10H16N2S — CID 115732773

IUPAC2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCC2)s1
InChIInChI=1S/C10H16N2S/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2
InChIKeyZAWHGKHUZRSNJV-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.42
Rot. Bonds5

About 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 115732773) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID115732773
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCC2)s1
InChIInChI=1S/C10H16N2S/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2
InChIKeyZAWHGKHUZRSNJV-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115690277
2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115690231
tert-butyl 2-[2-(1,3-thiazol-5-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244411
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759084
1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 115732773) is 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is c1ncc(CNCCC2CCC2)s1.
What is the InChIKey of 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is ZAWHGKHUZRSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2.
What are the key properties of 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115732773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).