(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C21H17N3O2S — CID 97105653

IUPAC(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CSc2nccc(=O)n2C1
InChIInChI=1S/C21H17N3O2S/c25-19-7-8-22-21-24(19)11-15(12-27-21)20(26)23-16-5-6-18-14(10-16)9-13-3-1-2-4-17(13)18/h1-8,10,15H,9,11-12H2,(H,23,26)/t15-/m0/s1
InChIKeyXDKHPGXEMDOBSF-HNNXBMFYSA-N
MW375.45 g/mol
LogP3.18
Rot. Bonds2

About (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97105653) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97105653
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CSc2nccc(=O)n2C1
InChIInChI=1S/C21H17N3O2S/c25-19-7-8-22-21-24(19)11-15(12-27-21)20(26)23-16-5-6-18-14(10-16)9-13-3-1-2-4-17(13)18/h1-8,10,15H,9,11-12H2,(H,23,26)/t15-/m0/s1
InChIKeyXDKHPGXEMDOBSF-HNNXBMFYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97105653) is (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CSc2nccc(=O)n2C1.
What is the InChIKey of (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XDKHPGXEMDOBSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-19-7-8-22-21-24(19)11-15(12-27-21)20(26)23-16-5-6-18-14(10-16)9-13-3-1-2-4-17(13)18/h1-8,10,15H,9,11-12H2,(H,23,26)/t15-/m0/s1.
What are the key properties of (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97105653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).