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

C22H19ClN4O2S — CID 55841292

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O2S/c1-13-19(11-15-7-3-5-9-17(15)23)30-22(24-13)26-20(28)12-27-14(2)25-18-10-6-4-8-16(18)21(27)29/h3-10H,11-12H2,1-2H3,(H,24,26,28)
InChIKeyGFNFRMWZTBUXPU-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.35
Rot. Bonds5

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

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55841292) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55841292
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN4O2S/c1-13-19(11-15-7-3-5-9-17(15)23)30-22(24-13)26-20(28)12-27-14(2)25-18-10-6-4-8-16(18)21(27)29/h3-10H,11-12H2,1-2H3,(H,24,26,28)
InChIKeyGFNFRMWZTBUXPU-UHFFFAOYSA-N
XLogP4.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55841292) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is GFNFRMWZTBUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-13-19(11-15-7-3-5-9-17(15)23)30-22(24-13)26-20(28)12-27-14(2)25-18-10-6-4-8-16(18)21(27)29/h3-10H,11-12H2,1-2H3,(H,24,26,28).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55841292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).