4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C18H18N2O2S — CID 16938400

IUPAC4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11(2)14-5-4-6-15-16(14)19-18(23-15)20-17(21)12-7-9-13(22-3)10-8-12/h4-11H,1-3H3,(H,19,20,21)
InChIKeyNXKHZRQUVFFRJT-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.68
Rot. Bonds4

About 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938400) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16938400
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C18H18N2O2S/c1-11(2)14-5-4-6-15-16(14)19-18(23-15)20-17(21)12-7-9-13(22-3)10-8-12/h4-11H,1-3H3,(H,19,20,21)
InChIKeyNXKHZRQUVFFRJT-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081368
2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 121081506
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 43990025
4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 16938521
4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938474
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
2-(4-ethoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938538
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938400) is 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1.
What is the InChIKey of 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NXKHZRQUVFFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11(2)14-5-4-6-15-16(14)19-18(23-15)20-17(21)12-7-9-13(22-3)10-8-12/h4-11H,1-3H3,(H,19,20,21).
What are the key properties of 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).