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

C26H21N5OS2 — CID 155525324

IUPAC3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc(-c3ccccc3)cs2)sc2nc3c(cc12)CN(c1ccccc1)CC3
InChIInChI=1S/C26H21N5OS2/c27-22-19-13-17-14-31(18-9-5-2-6-10-18)12-11-20(17)28-25(19)34-23(22)24(32)30-26-29-21(15-33-26)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14,27H2,(H,29,30,32)
InChIKeyNUJWCIKMMZQRHA-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.82
Rot. Bonds4

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

3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 155525324) has the molecular formula C26H21N5OS2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID155525324
Molecular FormulaC26H21N5OS2
Molecular Weight483.62 g/mol
Exact Mass483.12
IUPAC Name3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc(-c3ccccc3)cs2)sc2nc3c(cc12)CN(c1ccccc1)CC3
InChIInChI=1S/C26H21N5OS2/c27-22-19-13-17-14-31(18-9-5-2-6-10-18)12-11-20(17)28-25(19)34-23(22)24(32)30-26-29-21(15-33-26)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14,27H2,(H,29,30,32)
InChIKeyNUJWCIKMMZQRHA-UHFFFAOYSA-N
XLogP5.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23772164
6-amino-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23942320
3-amino-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23858471
3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866580
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23830170
3-amino-N-(2-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
tert-butyl 6-amino-5-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-thia-2,11-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-11-carboxylate
CID 46909294
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23997973
benzyl 3-amino-2-(phenylcarbamoyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-6-carboxylate
CID 155808556
3-amino-6-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23801376
3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155927491

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 155525324) is 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Nc1c(C(=O)Nc2nc(-c3ccccc3)cs2)sc2nc3c(cc12)CN(c1ccccc1)CC3.
What is the InChIKey of 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is NUJWCIKMMZQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS2/c27-22-19-13-17-14-31(18-9-5-2-6-10-18)12-11-20(17)28-25(19)34-23(22)24(32)30-26-29-21(15-33-26)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14,27H2,(H,29,30,32).
What are the key properties of 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155525324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).