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

C10H16N2S2 — CID 107267251

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCSC1(CNCc2scnc2C)CC1
InChIInChI=1S/C10H16N2S2/c1-8-9(14-7-12-8)5-11-6-10(13-2)3-4-10/h7,11H,3-6H2,1-2H3
InChIKeyDZBDKCZSSAHOCT-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.44
Rot. Bonds5

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

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 107267251) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID107267251
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCSC1(CNCc2scnc2C)CC1
InChIInChI=1S/C10H16N2S2/c1-8-9(14-7-12-8)5-11-6-10(13-2)3-4-10/h7,11H,3-6H2,1-2H3
InChIKeyDZBDKCZSSAHOCT-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 107267632
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[(3-methylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63283666
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 82767770
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 107267251) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is CSC1(CNCc2scnc2C)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is DZBDKCZSSAHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-8-9(14-7-12-8)5-11-6-10(13-2)3-4-10/h7,11H,3-6H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 228.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 107267251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).