3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C20H19N5O2S2 — CID 2057298

IUPAC3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)no1
InChIInChI=1S/C20H19N5O2S2/c1-10-8-14(24-27-10)23-19(26)18-17(21)16-15(13-4-3-7-28-13)11-9-25(2)6-5-12(11)22-20(16)29-18/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,23,24,26)
InChIKeyGYFZVURUMASWST-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.14
Rot. Bonds3

About 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 2057298) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID2057298
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC Name3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)no1
InChIInChI=1S/C20H19N5O2S2/c1-10-8-14(24-27-10)23-19(26)18-17(21)16-15(13-4-3-7-28-13)11-9-25(2)6-5-12(11)22-20(16)29-18/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,23,24,26)
InChIKeyGYFZVURUMASWST-UHFFFAOYSA-N
XLogP4.14
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 2057298) is 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)no1.
What is the InChIKey of 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is GYFZVURUMASWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-10-8-14(24-27-10)23-19(26)18-17(21)16-15(13-4-3-7-28-13)11-9-25(2)6-5-12(11)22-20(16)29-18/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,23,24,26).
What are the key properties of 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 2057298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).