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

C15H18N2O3S — CID 110332807

IUPACN-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-16-12(9-21-10)5-7-15(18)17-11-4-6-13(19-2)14(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,17,18)
InChIKeyKLMPCUHFPODYRH-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.04
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 110332807) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID110332807
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-16-12(9-21-10)5-7-15(18)17-11-4-6-13(19-2)14(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,17,18)
InChIKeyKLMPCUHFPODYRH-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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Related Compounds

N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 27378495
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-(2-ethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332800
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263722
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 110332807) is N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is COc1ccc(NC(=O)CCc2csc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is KLMPCUHFPODYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-16-12(9-21-10)5-7-15(18)17-11-4-6-13(19-2)14(8-11)20-3/h4,6,8-9H,5,7H2,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-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 N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110332807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).