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

C15H17N3O3S — CID 11197970

IUPAC2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)C(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C15H17N3O3S/c1-9(2)13(19)17-10-4-5-11(12(8-10)21-3)14(20)18-15-16-6-7-22-15/h4-9H,1-3H3,(H,17,19)(H,16,18,20)
InChIKeySEVVMBMFSZRDKO-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.00
Rot. Bonds5

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

2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11197970) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11197970
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)C(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C15H17N3O3S/c1-9(2)13(19)17-10-4-5-11(12(8-10)21-3)14(20)18-15-16-6-7-22-15/h4-9H,1-3H3,(H,17,19)(H,16,18,20)
InChIKeySEVVMBMFSZRDKO-UHFFFAOYSA-N
XLogP3.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 11197970) is 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is COc1cc(NC(=O)C(C)C)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SEVVMBMFSZRDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9(2)13(19)17-10-4-5-11(12(8-10)21-3)14(20)18-15-16-6-7-22-15/h4-9H,1-3H3,(H,17,19)(H,16,18,20).
What are the key properties of 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11197970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).