N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine

C12H20N2S — CID 115684518

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCC1(CNCc2scnc2C)CCC1
InChIInChI=1S/C12H20N2S/c1-3-12(5-4-6-12)8-13-7-11-10(2)14-9-15-11/h9,13H,3-8H2,1-2H3
InChIKeyQBSMSODKWILEDX-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 115684518) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID115684518
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCC1(CNCc2scnc2C)CCC1
InChIInChI=1S/C12H20N2S/c1-3-12(5-4-6-12)8-13-7-11-10(2)14-9-15-11/h9,13H,3-8H2,1-2H3
InChIKeyQBSMSODKWILEDX-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 82767770
N-[(3-methylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63283666
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[(1-ethylcyclobutyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115684507
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
N-[(1-ethylcyclopentyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 103768740

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 115684518) is N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is CCC1(CNCc2scnc2C)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is QBSMSODKWILEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-12(5-4-6-12)8-13-7-11-10(2)14-9-15-11/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115684518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).