N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine

C11H21N3S — CID 62635246

IUPACN'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCNCCc1scnc1C
InChIInChI=1S/C11H21N3S/c1-4-14(3)8-7-12-6-5-11-10(2)13-9-15-11/h9,12H,4-8H2,1-3H3
InChIKeyNTOADXXKWODIER-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.54
Rot. Bonds7

About N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 62635246) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID62635246
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCNCCc1scnc1C
InChIInChI=1S/C11H21N3S/c1-4-14(3)8-7-12-6-5-11-10(2)13-9-15-11/h9,12H,4-8H2,1-3H3
InChIKeyNTOADXXKWODIER-UHFFFAOYSA-N
XLogP1.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
CID 116643984
N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55256951
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 55201331
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine (CID 62635246) is N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine is CCN(C)CCNCCc1scnc1C.
What is the InChIKey of N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is NTOADXXKWODIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-14(3)8-7-12-6-5-11-10(2)13-9-15-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62635246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).