N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C19H20N2OS2 — CID 27667865

IUPACN-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C19H20N2OS2/c1-4-13-8-6-9-14(5-2)16(13)21-18(22)17-12(3)20-19(24-17)15-10-7-11-23-15/h6-11H,4-5H2,1-3H3,(H,21,22)
InChIKeyQTXGHZPYYMIHRV-UHFFFAOYSA-N
MW356.52 g/mol
LogP5.56
Rot. Bonds5

About N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 27667865) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID27667865
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC NameN-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C19H20N2OS2/c1-4-13-8-6-9-14(5-2)16(13)21-18(22)17-12(3)20-19(24-17)15-10-7-11-23-15/h6-11H,4-5H2,1-3H3,(H,21,22)
InChIKeyQTXGHZPYYMIHRV-UHFFFAOYSA-N
XLogP5.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110902207
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052582
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 27667865) is N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QTXGHZPYYMIHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-4-13-8-6-9-14(5-2)16(13)21-18(22)17-12(3)20-19(24-17)15-10-7-11-23-15/h6-11H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 356.52 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27667865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).