N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C21H20N2O2S — CID 51154960

IUPACN-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc3c(c1)Cc1ccccc1-3)CS2
InChIInChI=1S/C21H20N2O2S/c1-21-9-8-19(24)23(21)18(12-26-21)20(25)22-15-6-7-17-14(11-15)10-13-4-2-3-5-16(13)17/h2-7,11,18H,8-10,12H2,1H3,(H,22,25)
InChIKeySTKQXSHLAFNTLI-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.65
Rot. Bonds2

About N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51154960) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51154960
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc3c(c1)Cc1ccccc1-3)CS2
InChIInChI=1S/C21H20N2O2S/c1-21-9-8-19(24)23(21)18(12-26-21)20(25)22-15-6-7-17-14(11-15)10-13-4-2-3-5-16(13)17/h2-7,11,18H,8-10,12H2,1H3,(H,22,25)
InChIKeySTKQXSHLAFNTLI-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51154960) is N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccc3c(c1)Cc1ccccc1-3)CS2.
What is the InChIKey of N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is STKQXSHLAFNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-21-9-8-19(24)23(21)18(12-26-21)20(25)22-15-6-7-17-14(11-15)10-13-4-2-3-5-16(13)17/h2-7,11,18H,8-10,12H2,1H3,(H,22,25).
What are the key properties of N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).