4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide

C21H20N2O2S — CID 46394880

IUPAC4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-2-25-18-11-9-17(10-12-18)22-20(24)15-5-3-14(4-6-15)19-13-26-21(23-19)16-7-8-16/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,24)
InChIKeyQQKPMWGOAWZAIA-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.34
Rot. Bonds6

About 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide

4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide (PubChem CID 46394880) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide
PubChem CID46394880
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-2-25-18-11-9-17(10-12-18)22-20(24)15-5-3-14(4-6-15)19-13-26-21(23-19)16-7-8-16/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,24)
InChIKeyQQKPMWGOAWZAIA-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 53037722
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide
CID 123467518
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[4-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 19712011
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide (CID 46394880) is 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide?
The InChIKey is QQKPMWGOAWZAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-2-25-18-11-9-17(10-12-18)22-20(24)15-5-3-14(4-6-15)19-13-26-21(23-19)16-7-8-16/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,24).
What are the key properties of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide?
4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 46394880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).