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

C18H24N2O3S — CID 110676447

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(C)nc2C(C)C)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-11(2)16-17(24-12(3)20-16)18(21)19-9-8-13-6-7-14(22-4)15(10-13)23-5/h6-7,10-11H,8-9H2,1-5H3,(H,19,21)
InChIKeyWGYPLHVKIZAVJT-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.56
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 110676447) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID110676447
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(C)nc2C(C)C)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-11(2)16-17(24-12(3)20-16)18(21)19-9-8-13-6-7-14(22-4)15(10-13)23-5/h6-7,10-11H,8-9H2,1-5H3,(H,19,21)
InChIKeyWGYPLHVKIZAVJT-UHFFFAOYSA-N
XLogP3.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71701513
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 155277619
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628421
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387103
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897039
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885111
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 110676447) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2sc(C)nc2C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WGYPLHVKIZAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11(2)16-17(24-12(3)20-16)18(21)19-9-8-13-6-7-14(22-4)15(10-13)23-5/h6-7,10-11H,8-9H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).