2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide

C15H14N4OS — CID 62953947

IUPAC2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3sc(N)nc3C)c2n1
InChIInChI=1S/C15H14N4OS/c1-8-6-7-10-4-3-5-11(12(10)17-8)19-14(20)13-9(2)18-15(16)21-13/h3-7H,1-2H3,(H2,16,18)(H,19,20)
InChIKeyASVRLPYKXMEXAG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.14
Rot. Bonds2

About 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide (PubChem CID 62953947) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide
PubChem CID62953947
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3sc(N)nc3C)c2n1
InChIInChI=1S/C15H14N4OS/c1-8-6-7-10-4-3-5-11(12(10)17-8)19-14(20)13-9(2)18-15(16)21-13/h3-7H,1-2H3,(H2,16,18)(H,19,20)
InChIKeyASVRLPYKXMEXAG-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide (CID 62953947) is 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide is Cc1ccc2cccc(NC(=O)c3sc(N)nc3C)c2n1.
What is the InChIKey of 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ASVRLPYKXMEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-6-7-10-4-3-5-11(12(10)17-8)19-14(20)13-9(2)18-15(16)21-13/h3-7H,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62953947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).