2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C12H24N4S — CID 103189538

IUPAC2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCc1csc(N)n1)C(C)CN(C)C
InChIInChI=1S/C12H24N4S/c1-5-16(10(2)8-15(3)4)7-6-11-9-17-12(13)14-11/h9-10H,5-8H2,1-4H3,(H2,13,14)
InChIKeyPSUDSXROKXIUIJ-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.54
Rot. Bonds7

About 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189538) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189538
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCc1csc(N)n1)C(C)CN(C)C
InChIInChI=1S/C12H24N4S/c1-5-16(10(2)8-15(3)4)7-6-11-9-17-12(13)14-11/h9-10H,5-8H2,1-4H3,(H2,13,14)
InChIKeyPSUDSXROKXIUIJ-UHFFFAOYSA-N
XLogP1.54
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
2-N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114275869
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189538) is 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCc1csc(N)n1)C(C)CN(C)C.
What is the InChIKey of 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is PSUDSXROKXIUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-16(10(2)8-15(3)4)7-6-11-9-17-12(13)14-11/h9-10H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).