N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C15H14N2O2S2 — CID 973116

IUPACN-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3cccs3)cs2)c(OC)c1
InChIInChI=1S/C15H14N2O2S2/c1-18-10-5-6-11(13(8-10)19-2)16-15-17-12(9-21-15)14-4-3-7-20-14/h3-9H,1-2H3,(H,16,17)
InChIKeyUNEUKGGZQYVAPI-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.63
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 973116) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID973116
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3cccs3)cs2)c(OC)c1
InChIInChI=1S/C15H14N2O2S2/c1-18-10-5-6-11(13(8-10)19-2)16-15-17-12(9-21-15)14-4-3-7-20-14/h3-9H,1-2H3,(H,16,17)
InChIKeyUNEUKGGZQYVAPI-UHFFFAOYSA-N
XLogP4.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 973116) is N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3cccs3)cs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is UNEUKGGZQYVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-18-10-5-6-11(13(8-10)19-2)16-15-17-12(9-21-15)14-4-3-7-20-14/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 318.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).