N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C19H26N2O3S — CID 49318232

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2sc(CC)nc2C)cc1OCC
InChIInChI=1S/C19H26N2O3S/c1-6-17-20-13(5)18(25-17)19(22)21-12(4)14-9-10-15(23-7-2)16(11-14)24-8-3/h9-12H,6-8H2,1-5H3,(H,21,22)
InChIKeyXFINCAGVYRKVFD-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.30
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49318232) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49318232
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2sc(CC)nc2C)cc1OCC
InChIInChI=1S/C19H26N2O3S/c1-6-17-20-13(5)18(25-17)19(22)21-12(4)14-9-10-15(23-7-2)16(11-14)24-8-3/h9-12H,6-8H2,1-5H3,(H,21,22)
InChIKeyXFINCAGVYRKVFD-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51961966
2-cyclopropyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55536585
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 124880194
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 94344688
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 49318232) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(C(C)NC(=O)c2sc(CC)nc2C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XFINCAGVYRKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-6-17-20-13(5)18(25-17)19(22)21-12(4)14-9-10-15(23-7-2)16(11-14)24-8-3/h9-12H,6-8H2,1-5H3,(H,21,22).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).