N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide

C14H16N2O3S — CID 110692153

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccns2)c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-3-4-12(19-2)10(9-11)5-7-15-14(17)13-6-8-16-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyLDGBOLCLMPSLPI-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide (PubChem CID 110692153) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
PubChem CID110692153
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccns2)c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-3-4-12(19-2)10(9-11)5-7-15-14(17)13-6-8-16-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyLDGBOLCLMPSLPI-UHFFFAOYSA-N
XLogP2.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
CID 21046911
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
CID 110699024
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide (CID 110692153) is N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide is COc1ccc(OC)c(CCNC(=O)c2ccns2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide?
The InChIKey is LDGBOLCLMPSLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-11-3-4-12(19-2)10(9-11)5-7-15-14(17)13-6-8-16-20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 110692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).