N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C20H22N2O2S2 — CID 7668881

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H22N2O2S2/c1-12-17(26-19(21-12)16-7-6-10-25-16)18(23)22-14-11-13(20(2,3)4)8-9-15(14)24-5/h6-11H,1-5H3,(H,22,23)
InChIKeyZPOPXUURTDHTRI-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.74
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 7668881) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID7668881
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H22N2O2S2/c1-12-17(26-19(21-12)16-7-6-10-25-16)18(23)22-14-11-13(20(2,3)4)8-9-15(14)24-5/h6-11H,1-5H3,(H,22,23)
InChIKeyZPOPXUURTDHTRI-UHFFFAOYSA-N
XLogP5.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9045199
N-(4,5-diethoxy-2-nitrophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 78829001
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110002956
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 7668881) is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZPOPXUURTDHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-12-17(26-19(21-12)16-7-6-10-25-16)18(23)22-14-11-13(20(2,3)4)8-9-15(14)24-5/h6-11H,1-5H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7668881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).