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

C16H20N2O3S — CID 3068071

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)
InChIKeyLWLNFNPLZXYXMZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.28
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 3068071) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID3068071
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)
InChIKeyLWLNFNPLZXYXMZ-UHFFFAOYSA-N
XLogP3.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 3068071) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is LWLNFNPLZXYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).