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

C14H15N3O2S — CID 847241

IUPAC4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9(2)12(18)16-11-5-3-10(4-6-11)13(19)17-14-15-7-8-20-14/h3-9H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyXXVDXKAAWAFSQL-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.99
Rot. Bonds4

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

4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 847241) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID847241
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9(2)12(18)16-11-5-3-10(4-6-11)13(19)17-14-15-7-8-20-14/h3-9H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyXXVDXKAAWAFSQL-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 847241) is 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XXVDXKAAWAFSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(2)12(18)16-11-5-3-10(4-6-11)13(19)17-14-15-7-8-20-14/h3-9H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 847241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).