N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C14H16N2O3S — CID 63047661

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cscn2)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-9(16-14(17)12-7-20-8-15-12)11-5-4-10(18-2)6-13(11)19-3/h4-9H,1-3H3,(H,16,17)
InChIKeyHXIDNKVJHJTLTC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63047661) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID63047661
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cscn2)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-9(16-14(17)12-7-20-8-15-12)11-5-4-10(18-2)6-13(11)19-3/h4-9H,1-3H3,(H,16,17)
InChIKeyHXIDNKVJHJTLTC-UHFFFAOYSA-N
XLogP2.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049969
1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 97020856
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 63047661) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(C(C)NC(=O)c2cscn2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HXIDNKVJHJTLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(16-14(17)12-7-20-8-15-12)11-5-4-10(18-2)6-13(11)19-3/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).