N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide

C20H28N2O3S — CID 68623178

IUPACN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1CCOC
InChIInChI=1S/C20H28N2O3S/c1-7-25-16-11-9-8-10-15(16)18(23)21-19-22(12-13-24-6)14(2)17(26-19)20(3,4)5/h8-11H,7,12-13H2,1-6H3/b21-19+
InChIKeyVSJXHFAIWXGKFY-XUTLUUPISA-N
MW376.52 g/mol
LogP3.94
Rot. Bonds6

About N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide

N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide (PubChem CID 68623178) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
PubChem CID68623178
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1CCOC
InChIInChI=1S/C20H28N2O3S/c1-7-25-16-11-9-8-10-15(16)18(23)21-19-22(12-13-24-6)14(2)17(26-19)20(3,4)5/h8-11H,7,12-13H2,1-6H3/b21-19+
InChIKeyVSJXHFAIWXGKFY-XUTLUUPISA-N
XLogP3.94
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-dichlorobenzamide
CID 68623803
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40888430
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,4-dichloro-5-fluorobenzamide
CID 59865846
2-methoxy-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40697673
methyl 2-[2-(2-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43939814
5-bromo-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 40886494
4-benzyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938807
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
CID 4105205
methyl 2-[4-ethoxy-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153743
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886407
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-chloro-2-methylbenzamide
CID 59865770

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide?
The IUPAC name of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide (CID 68623178) is N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide?
The canonical SMILES for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide is CCOc1ccccc1C(=O)/N=c1/sc(C(C)(C)C)c(C)n1CCOC.
What is the InChIKey of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide?
The InChIKey is VSJXHFAIWXGKFY-XUTLUUPISA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-7-25-16-11-9-8-10-15(16)18(23)21-19-22(12-13-24-6)14(2)17(26-19)20(3,4)5/h8-11H,7,12-13H2,1-6H3/b21-19+.
What are the key properties of N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide?
N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide has a molecular weight of 376.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-ethoxybenzamide is sourced from PubChem (CID 68623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).