4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

C17H22N2O4S — CID 3068068

IUPAC4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H22N2O4S/c1-6-7-18-16(20)15-10(2)19-17(24-15)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyQCDDOTXBQFZCPU-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.28
Rot. Bonds7

About 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3068068) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3068068
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C17H22N2O4S/c1-6-7-18-16(20)15-10(2)19-17(24-15)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyQCDDOTXBQFZCPU-UHFFFAOYSA-N
XLogP3.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 3068068) is 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C.
What is the InChIKey of 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QCDDOTXBQFZCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-6-7-18-16(20)15-10(2)19-17(24-15)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3,(H,18,20).
What are the key properties of 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).