5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H19N3O2S — CID 96548697

IUPAC5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1CCCCc2ccccc21)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H19N3O2S/c22-16(14-11-19-18-21(17(14)23)9-10-24-18)20-15-8-4-2-6-12-5-1-3-7-13(12)15/h1,3,5,7,11,15H,2,4,6,8-10H2,(H,20,22)/t15-/m1/s1
InChIKeyNNVORVQDHVBGFX-OAHLLOKOSA-N
MW341.44 g/mol
LogP2.55
Rot. Bonds2

About 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 96548697) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID96548697
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1CCCCc2ccccc21)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H19N3O2S/c22-16(14-11-19-18-21(17(14)23)9-10-24-18)20-15-8-4-2-6-12-5-1-3-7-13(12)15/h1,3,5,7,11,15H,2,4,6,8-10H2,(H,20,22)/t15-/m1/s1
InChIKeyNNVORVQDHVBGFX-OAHLLOKOSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17469535
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
CID 22520847
4-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647285
4-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647286
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
5-oxo-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 52516527
6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylate
CID 6930464
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 20951569
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 96548697) is 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(N[C@@H]1CCCCc2ccccc21)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NNVORVQDHVBGFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(14-11-19-18-21(17(14)23)9-10-24-18)20-15-8-4-2-6-12-5-1-3-7-13(12)15/h1,3,5,7,11,15H,2,4,6,8-10H2,(H,20,22)/t15-/m1/s1.
What are the key properties of 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 96548697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).