5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

C17H18N4O3S — CID 21357925

IUPAC5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3ccccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O3S/c1-22-12-8-10(9-13(23-2)14(12)24-3)20-17-21-16(18)15(25-17)11-6-4-5-7-19-11/h4-9H,18H2,1-3H3,(H,20,21)
InChIKeyFPSIJTQWAZLSIH-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.56
Rot. Bonds6

About 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (PubChem CID 21357925) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
PubChem CID21357925
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3ccccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O3S/c1-22-12-8-10(9-13(23-2)14(12)24-3)20-17-21-16(18)15(25-17)11-6-4-5-7-19-11/h4-9H,18H2,1-3H3,(H,20,21)
InChIKeyFPSIJTQWAZLSIH-UHFFFAOYSA-N
XLogP3.56
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (CID 21357925) is 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is COc1cc(Nc2nc(N)c(-c3ccccn3)s2)cc(OC)c1OC.
What is the InChIKey of 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The InChIKey is FPSIJTQWAZLSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-22-12-8-10(9-13(23-2)14(12)24-3)20-17-21-16(18)15(25-17)11-6-4-5-7-19-11/h4-9H,18H2,1-3H3,(H,20,21).
What are the key properties of 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine has a molecular weight of 358.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 21357925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).