N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide

C18H16N6OS — CID 138586743

IUPACN-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3nc(-c4cnc(C)n4C)ccc3cn2)s1
InChIInChI=1S/C18H16N6OS/c1-10-19-8-15(24(10)3)13-5-4-12-7-21-17(6-14(12)22-13)23-18(25)16-9-20-11(2)26-16/h4-9H,1-3H3,(H,21,23,25)
InChIKeyORTLLMXJDJAQFM-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.36
Rot. Bonds3

About N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 138586743) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID138586743
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc3nc(-c4cnc(C)n4C)ccc3cn2)s1
InChIInChI=1S/C18H16N6OS/c1-10-19-8-15(24(10)3)13-5-4-12-7-21-17(6-14(12)22-13)23-18(25)16-9-20-11(2)26-16/h4-9H,1-3H3,(H,21,23,25)
InChIKeyORTLLMXJDJAQFM-UHFFFAOYSA-N
XLogP3.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 138586743) is N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc3nc(-c4cnc(C)n4C)ccc3cn2)s1.
What is the InChIKey of N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ORTLLMXJDJAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-10-19-8-15(24(10)3)13-5-4-12-7-21-17(6-14(12)22-13)23-18(25)16-9-20-11(2)26-16/h4-9H,1-3H3,(H,21,23,25).
What are the key properties of N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138586743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).