4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C18H18N2O2S2 — CID 108742096

IUPAC4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12(2)10-22-14-7-5-13(6-8-14)17(21)20-18-19-15(11-24-18)16-4-3-9-23-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21)
InChIKeyYPTQEUAXZLOMDX-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.16
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 108742096) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID108742096
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-12(2)10-22-14-7-5-13(6-8-14)17(21)20-18-19-15(11-24-18)16-4-3-9-23-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21)
InChIKeyYPTQEUAXZLOMDX-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 110502865
4-(2-methylpropoxy)-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 23912060
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742139
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 39177422
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 108742096) is 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YPTQEUAXZLOMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12(2)10-22-14-7-5-13(6-8-14)17(21)20-18-19-15(11-24-18)16-4-3-9-23-16/h3-9,11-12H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 358.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 108742096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).