3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C15H18N2O3S — CID 2445798

IUPAC3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-9-16-15(21-10)17-14(18)7-5-11-4-6-12(19-2)13(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18)
InChIKeyBDEZQJNQDBCYKB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.04
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2445798) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID2445798
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-9-16-15(21-10)17-14(18)7-5-11-4-6-12(19-2)13(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18)
InChIKeyBDEZQJNQDBCYKB-UHFFFAOYSA-N
XLogP3.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 2445798) is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2ncc(C)s2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BDEZQJNQDBCYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-9-16-15(21-10)17-14(18)7-5-11-4-6-12(19-2)13(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2445798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).