N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

C14H12N4OS — CID 104826457

IUPACN-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H12N4OS/c1-8-13(20-7-17-8)14(19)18-11-5-4-10(15)12-9(11)3-2-6-16-12/h2-7H,15H2,1H3,(H,18,19)
InChIKeyBWFDRNMEVGEGOO-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104826457) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID104826457
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H12N4OS/c1-8-13(20-7-17-8)14(19)18-11-5-4-10(15)12-9(11)3-2-6-16-12/h2-7H,15H2,1H3,(H,18,19)
InChIKeyBWFDRNMEVGEGOO-UHFFFAOYSA-N
XLogP2.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 104826457) is N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BWFDRNMEVGEGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-13(20-7-17-8)14(19)18-11-5-4-10(15)12-9(11)3-2-6-16-12/h2-7H,15H2,1H3,(H,18,19).
What are the key properties of N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104826457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).