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

C18H13N5OS — CID 51085163

IUPACN-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ncccn3)n2)c2cccnc12
InChIInChI=1S/C18H13N5OS/c1-11-5-6-13(12-4-2-7-19-15(11)12)22-17(24)14-10-25-18(23-14)16-20-8-3-9-21-16/h2-10H,1H3,(H,22,24)
InChIKeyPLCVULIOXAYPTJ-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.71
Rot. Bonds3

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

N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 51085163) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID51085163
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC NameN-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ncccn3)n2)c2cccnc12
InChIInChI=1S/C18H13N5OS/c1-11-5-6-13(12-4-2-7-19-15(11)12)22-17(24)14-10-25-18(23-14)16-20-8-3-9-21-16/h2-10H,1H3,(H,22,24)
InChIKeyPLCVULIOXAYPTJ-UHFFFAOYSA-N
XLogP3.71
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55873301
N-(8-methylquinolin-5-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 122142260
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085227
N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86821917
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
5-(4-ethoxyphenyl)-N-(8-methylquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 51065688
5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
CID 46404652
N-[2-(2-methylphenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87031750
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451

Frequently Asked Questions

What is the IUPAC name of N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 51085163) is N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)c2cccnc12.
What is the InChIKey of N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PLCVULIOXAYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-11-5-6-13(12-4-2-7-19-15(11)12)22-17(24)14-10-25-18(23-14)16-20-8-3-9-21-16/h2-10H,1H3,(H,22,24).
What are the key properties of N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51085163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).