2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide

C15H13N5O4S — CID 118713605

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C15H13N5O4S/c1-9-18-11-5-3-2-4-10(11)15(22)19(9)8-12(21)16-6-13-17-7-14(25-13)20(23)24/h2-5,7H,6,8H2,1H3,(H,16,21)
InChIKeyTXMMBVLHZUGVEO-UHFFFAOYSA-N
MW359.37 g/mol
LogP1.39
Rot. Bonds5

About 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide

2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 118713605) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID118713605
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C15H13N5O4S/c1-9-18-11-5-3-2-4-10(11)15(22)19(9)8-12(21)16-6-13-17-7-14(25-13)20(23)24/h2-5,7H,6,8H2,1H3,(H,16,21)
InChIKeyTXMMBVLHZUGVEO-UHFFFAOYSA-N
XLogP1.39
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide (CID 118713605) is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is TXMMBVLHZUGVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-9-18-11-5-3-2-4-10(11)15(22)19(9)8-12(21)16-6-13-17-7-14(25-13)20(23)24/h2-5,7H,6,8H2,1H3,(H,16,21).
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide?
2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 359.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-nitro-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 118713605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).