N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine

C23H29N3O2S — CID 2621108

IUPACN-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C23H29N3O2S/c1-5-26(6-2)16-15-24-23-25-21(17-7-11-19(27-3)12-8-17)22(29-23)18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyMFKATAJWLKTKPM-UHFFFAOYSA-N
MW411.57 g/mol
LogP5.25
Rot. Bonds10

About N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine

N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 2621108) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID2621108
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C23H29N3O2S/c1-5-26(6-2)16-15-24-23-25-21(17-7-11-19(27-3)12-8-17)22(29-23)18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyMFKATAJWLKTKPM-UHFFFAOYSA-N
XLogP5.25
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine (CID 2621108) is N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is MFKATAJWLKTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-5-26(6-2)16-15-24-23-25-21(17-7-11-19(27-3)12-8-17)22(29-23)18-9-13-20(28-4)14-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,24,25).
What are the key properties of N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 411.57 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 2621108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).