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

C10H16N2S2 — CID 107267149

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCSC1(CNCc2cscn2)CCC1
InChIInChI=1S/C10H16N2S2/c1-13-10(3-2-4-10)7-11-5-9-6-14-8-12-9/h6,8,11H,2-5,7H2,1H3
InChIKeyMNVPJUCIECVPBS-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.52
Rot. Bonds5

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

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 107267149) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID107267149
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCSC1(CNCc2cscn2)CCC1
InChIInChI=1S/C10H16N2S2/c1-13-10(3-2-4-10)7-11-5-9-6-14-8-12-9/h6,8,11H,2-5,7H2,1H3
InChIKeyMNVPJUCIECVPBS-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 64553638
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 107267202
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 107267632
N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 107271732
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 107267149) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is CSC1(CNCc2cscn2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is MNVPJUCIECVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-13-10(3-2-4-10)7-11-5-9-6-14-8-12-9/h6,8,11H,2-5,7H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 228.39 g/mol, XLogP of 2.52, 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)methanamine is sourced from PubChem (CID 107267149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).