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

C12H23N3S — CID 62635360

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C12H23N3S/c1-6-15(5)8-7-13-9(2)12-10(3)16-11(4)14-12/h9,13H,6-8H2,1-5H3
InChIKeySDRGVBSAZYKZIY-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.36
Rot. Bonds6

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 62635360) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID62635360
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C12H23N3S/c1-6-15(5)8-7-13-9(2)12-10(3)16-11(4)14-12/h9,13H,6-8H2,1-5H3
InChIKeySDRGVBSAZYKZIY-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
4-Thiazolemethanamine, alpha,2,5-trimethyl-, hydrochloride (1:2)
CID 50944361
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
2-methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine dihydrochloride
CID 155822244
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274632
(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97055460
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 99629512

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine (CID 62635360) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is SDRGVBSAZYKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-15(5)8-7-13-9(2)12-10(3)16-11(4)14-12/h9,13H,6-8H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62635360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).