N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide

C19H17N5OS — CID 138585708

IUPACN-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1
InChIInChI=1S/C19H17N5OS/c1-11-20-9-16(24(11)3)13-4-5-14-8-22-18(7-15(14)6-13)23-19(25)17-10-21-12(2)26-17/h4-10H,1-3H3,(H,22,23,25)
InChIKeyVKJVGBGYCJZKLW-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.96
Rot. Bonds3

About N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 138585708) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID138585708
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1
InChIInChI=1S/C19H17N5OS/c1-11-20-9-16(24(11)3)13-4-5-14-8-22-18(7-15(14)6-13)23-19(25)17-10-21-12(2)26-17/h4-10H,1-3H3,(H,22,23,25)
InChIKeyVKJVGBGYCJZKLW-UHFFFAOYSA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91809176
2-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-thiazole-5-carboxamide
CID 118139251
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 162648404
N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 69382972
N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 74221756
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[3-(trifluoromethyl)isoquinolin-7-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221848
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methyltriazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139497
N-[[4-(2-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 118139523
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139711
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134396216
2-tert-butyl-N-[[2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 162644958

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 138585708) is N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1.
What is the InChIKey of N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VKJVGBGYCJZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-20-9-16(24(11)3)13-4-5-14-8-22-18(7-15(14)6-13)23-19(25)17-10-21-12(2)26-17/h4-10H,1-3H3,(H,22,23,25).
What are the key properties of N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138585708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).