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

C12H23N3S — CID 115777798

IUPACN',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1cnc(C)s1
InChIInChI=1S/C12H23N3S/c1-5-15(6-2)8-7-13-10(3)12-9-14-11(4)16-12/h9-10,13H,5-8H2,1-4H3
InChIKeyCXXANDUZERDXEO-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.44
Rot. Bonds7

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

N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 115777798) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID115777798
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1cnc(C)s1
InChIInChI=1S/C12H23N3S/c1-5-15(6-2)8-7-13-10(3)12-9-14-11(4)16-12/h9-10,13H,5-8H2,1-4H3
InChIKeyCXXANDUZERDXEO-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 115777834
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
1-(2-methyl-1,3-thiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 115888868
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43201220
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 113278109

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine (CID 115777798) is N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine is CCN(CC)CCNC(C)c1cnc(C)s1.
What is the InChIKey of N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is CXXANDUZERDXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-15(6-2)8-7-13-10(3)12-9-14-11(4)16-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115777798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).