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

C16H23N3S — CID 106313057

IUPACN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H23N3S/c1-10-5-7-14(8-6-10)15(17)9-18-11(2)16-12(3)19-13(4)20-16/h5-8,11,15,18H,9,17H2,1-4H3
InChIKeyWDPFOEJERMVILJ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.42
Rot. Bonds5

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

N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313057) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313057
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H23N3S/c1-10-5-7-14(8-6-10)15(17)9-18-11(2)16-12(3)19-13(4)20-16/h5-8,11,15,18H,9,17H2,1-4H3
InChIKeyWDPFOEJERMVILJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313057) is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CNC(C)c2sc(C)nc2C)cc1.
What is the InChIKey of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is WDPFOEJERMVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10-5-7-14(8-6-10)15(17)9-18-11(2)16-12(3)19-13(4)20-16/h5-8,11,15,18H,9,17H2,1-4H3.
What are the key properties of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).