5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

C12H23N3S2 — CID 112666348

IUPAC5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)N(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C12H23N3S2/c1-6-10(7-16-5)15(4)12-14-9(3)11(17-12)8(2)13/h8,10H,6-7,13H2,1-5H3
InChIKeyZYMCKSNUVYVUCY-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.05
Rot. Bonds6

About 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 112666348) has the molecular formula C12H23N3S2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID112666348
Molecular FormulaC12H23N3S2
Molecular Weight273.47 g/mol
Exact Mass273.13
IUPAC Name5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)N(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C12H23N3S2/c1-6-10(7-16-5)15(4)12-14-9(3)11(17-12)8(2)13/h8,10H,6-7,13H2,1-5H3
InChIKeyZYMCKSNUVYVUCY-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62752198
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 112666365
5-(1-aminoethyl)-N-ethyl-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62751349
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 112666546
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62750191

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (CID 112666348) is 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is CCC(CSC)N(C)c1nc(C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZYMCKSNUVYVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S2/c1-6-10(7-16-5)15(4)12-14-9(3)11(17-12)8(2)13/h8,10H,6-7,13H2,1-5H3.
What are the key properties of 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 273.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112666348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).