3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine

C12H23N3OS — CID 113493218

IUPAC3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
SMILESCCOCC(C)(CN)N(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-5-16-8-12(3,7-13)15(4)6-11-10(2)14-9-17-11/h9H,5-8,13H2,1-4H3
InChIKeyGYWYKXDVRUMCHI-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.64
Rot. Bonds7

About 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine

3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 113493218) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
PubChem CID113493218
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
SMILESCCOCC(C)(CN)N(C)Cc1scnc1C
InChIInChI=1S/C12H23N3OS/c1-5-16-8-12(3,7-13)15(4)6-11-10(2)14-9-17-11/h9H,5-8,13H2,1-4H3
InChIKeyGYWYKXDVRUMCHI-UHFFFAOYSA-N
XLogP1.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 63844168
2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 64919535
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine (CID 113493218) is 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine is CCOCC(C)(CN)N(C)Cc1scnc1C.
What is the InChIKey of 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is GYWYKXDVRUMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-16-8-12(3,7-13)15(4)6-11-10(2)14-9-17-11/h9H,5-8,13H2,1-4H3.
What are the key properties of 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine?
3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 257.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113493218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).