4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide

C21H17N3O2S — CID 42618037

IUPAC4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyZUOJFKLDYLRBKL-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.14
Rot. Bonds4

About 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 42618037) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID42618037
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyZUOJFKLDYLRBKL-UHFFFAOYSA-N
XLogP4.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide (CID 42618037) is 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZUOJFKLDYLRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).