2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H18N2O2S — CID 51172455

IUPAC2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-5-19-12-8-6-11(7-9-12)14-16-10(2)13(20-14)15(18)17(3)4/h6-9H,5H2,1-4H3
InChIKeyQKQVVYACQRCIHQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 51172455) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID51172455
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-5-19-12-8-6-11(7-9-12)14-16-10(2)13(20-14)15(18)17(3)4/h6-9H,5H2,1-4H3
InChIKeyQKQVVYACQRCIHQ-UHFFFAOYSA-N
XLogP3.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200059
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55605803
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55605894
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-(1H-benzimidazol-2-ylmethyl)-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55631761
N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487802

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 51172455) is 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)N(C)C)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QKQVVYACQRCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-19-12-8-6-11(7-9-12)14-16-10(2)13(20-14)15(18)17(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51172455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).