N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide

C24H20N6OS — CID 140710990

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide
SMILESNc1nccc2cc(CNC(=O)c3cn(Cc4csc(-c5ccccc5)n4)cn3)ccc12
InChIInChI=1S/C24H20N6OS/c25-22-20-7-6-16(10-18(20)8-9-26-22)11-27-23(31)21-13-30(15-28-21)12-19-14-32-24(29-19)17-4-2-1-3-5-17/h1-10,13-15H,11-12H2,(H2,25,26)(H,27,31)
InChIKeyMXFLWYUZEWNFAI-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.12
Rot. Bonds6

About N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 140710990) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide
PubChem CID140710990
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide
SMILESNc1nccc2cc(CNC(=O)c3cn(Cc4csc(-c5ccccc5)n4)cn3)ccc12
InChIInChI=1S/C24H20N6OS/c25-22-20-7-6-16(10-18(20)8-9-26-22)11-27-23(31)21-13-30(15-28-21)12-19-14-32-24(29-19)17-4-2-1-3-5-17/h1-10,13-15H,11-12H2,(H2,25,26)(H,27,31)
InChIKeyMXFLWYUZEWNFAI-UHFFFAOYSA-N
XLogP4.12
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;methane
CID 167625928
N-[(1-aminoisoquinolin-6-yl)methyl]-4-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-(2-piperidin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 167580855
N-[(1-aminoisoquinolin-6-yl)methyl]-3-methyl-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 140710996
6-[[4-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-2-carboxamide
CID 118665212
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[(1-aminoisoquinolin-6-yl)methyl]-3,5-dimethyl-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 135120929
N-benzyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxamide
CID 53491108

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide (CID 140710990) is N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide is Nc1nccc2cc(CNC(=O)c3cn(Cc4csc(-c5ccccc5)n4)cn3)ccc12.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is MXFLWYUZEWNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c25-22-20-7-6-16(10-18(20)8-9-26-22)11-27-23(31)21-13-30(15-28-21)12-19-14-32-24(29-19)17-4-2-1-3-5-17/h1-10,13-15H,11-12H2,(H2,25,26)(H,27,31).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 140710990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).