3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

C26H26N2O4S — CID 5147525

IUPAC3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(OCC)c1OCC
InChIInChI=1S/C26H26N2O4S/c1-4-30-22-14-20(15-23(31-5-2)24(22)32-6-3)25(29)28-26-27-21(16-33-26)19-12-11-17-9-7-8-10-18(17)13-19/h7-16H,4-6H2,1-3H3,(H,27,28,29)
InChIKeyPTRHZWMAASUKAC-UHFFFAOYSA-N
MW462.57 g/mol
LogP6.41
Rot. Bonds9

About 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5147525) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5147525
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(OCC)c1OCC
InChIInChI=1S/C26H26N2O4S/c1-4-30-22-14-20(15-23(31-5-2)24(22)32-6-3)25(29)28-26-27-21(16-33-26)19-12-11-17-9-7-8-10-18(17)13-19/h7-16H,4-6H2,1-3H3,(H,27,28,29)
InChIKeyPTRHZWMAASUKAC-UHFFFAOYSA-N
XLogP6.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3308749
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 5229607
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 5147525) is 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PTRHZWMAASUKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-4-30-22-14-20(15-23(31-5-2)24(22)32-6-3)25(29)28-26-27-21(16-33-26)19-12-11-17-9-7-8-10-18(17)13-19/h7-16H,4-6H2,1-3H3,(H,27,28,29).
What are the key properties of 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 462.57 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5147525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).