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

C20H15ClN4O2S — CID 134012646

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1sc(NC(=O)Cn2ncc(=O)c3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-12-19(13-6-8-14(21)9-7-13)24-20(28-12)23-18(27)11-25-16-5-3-2-4-15(16)17(26)10-22-25/h2-10H,11H2,1H3,(H,23,24,27)
InChIKeyKWGKGKMRBFXVPW-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.12
Rot. Bonds4

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

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 134012646) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID134012646
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1sc(NC(=O)Cn2ncc(=O)c3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-12-19(13-6-8-14(21)9-7-13)24-20(28-12)23-18(27)11-25-16-5-3-2-4-15(16)17(26)10-22-25/h2-10H,11H2,1H3,(H,23,24,27)
InChIKeyKWGKGKMRBFXVPW-UHFFFAOYSA-N
XLogP4.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide (CID 134012646) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide is Cc1sc(NC(=O)Cn2ncc(=O)c3ccccc32)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is KWGKGKMRBFXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-12-19(13-6-8-14(21)9-7-13)24-20(28-12)23-18(27)11-25-16-5-3-2-4-15(16)17(26)10-22-25/h2-10H,11H2,1H3,(H,23,24,27).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 410.89 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 134012646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).