N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine

C11H18N2S2 — CID 107269797

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCSC1(CNC(C)c2cscn2)CCC1
InChIInChI=1S/C11H18N2S2/c1-9(10-6-15-8-13-10)12-7-11(14-2)4-3-5-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyRMZUXEASPINRCU-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.08
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 107269797) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID107269797
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCSC1(CNC(C)c2cscn2)CCC1
InChIInChI=1S/C11H18N2S2/c1-9(10-6-15-8-13-10)12-7-11(14-2)4-3-5-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyRMZUXEASPINRCU-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 107269867
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107269986
1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 107269723
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 107269797) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CSC1(CNC(C)c2cscn2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is RMZUXEASPINRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-9(10-6-15-8-13-10)12-7-11(14-2)4-3-5-11/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 242.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 107269797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).