N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine

C12H23N3S2 — CID 112666365

IUPACN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C(C)CSC)nc1C
InChIInChI=1S/C12H23N3S2/c1-8(7-16-6)15(5)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,7H2,1-6H3
InChIKeyKBFVQLAAZTZDRP-UHFFFAOYSA-N
MW273.47 g/mol
LogP2.92
Rot. Bonds6

About N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine

N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 112666365) has the molecular formula C12H23N3S2 and a molecular weight of 273.47 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID112666365
Molecular FormulaC12H23N3S2
Molecular Weight273.47 g/mol
Exact Mass273.13
IUPAC NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)C(C)CSC)nc1C
InChIInChI=1S/C12H23N3S2/c1-8(7-16-6)15(5)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,7H2,1-6H3
InChIKeyKBFVQLAAZTZDRP-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693429
5-(1-aminoethyl)-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 112666348
N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62985819
N-(1-ethylpiperidin-4-yl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62754118
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115346935
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750110
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine (CID 112666365) is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)C(C)CSC)nc1C.
What is the InChIKey of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KBFVQLAAZTZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S2/c1-8(7-16-6)15(5)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,7H2,1-6H3.
What are the key properties of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 273.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112666365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).