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

C15H14N4OS — CID 66379840

IUPAC2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3csc(CN)n3)c2n1
InChIInChI=1S/C15H14N4OS/c1-9-5-6-10-3-2-4-11(14(10)17-9)19-15(20)12-8-21-13(7-16)18-12/h2-6,8H,7,16H2,1H3,(H,19,20)
InChIKeyKLUGAHJQXHXRCS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.71
Rot. Bonds3

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

2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66379840) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
PubChem CID66379840
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3csc(CN)n3)c2n1
InChIInChI=1S/C15H14N4OS/c1-9-5-6-10-3-2-4-11(14(10)17-9)19-15(20)12-8-21-13(7-16)18-12/h2-6,8H,7,16H2,1H3,(H,19,20)
InChIKeyKLUGAHJQXHXRCS-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
2-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 81494297
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
2-(aminomethyl)-N-(2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66378018
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide (CID 66379840) is 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide is Cc1ccc2cccc(NC(=O)c3csc(CN)n3)c2n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KLUGAHJQXHXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-5-6-10-3-2-4-11(14(10)17-9)19-15(20)12-8-21-13(7-16)18-12/h2-6,8H,7,16H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66379840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).