(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H16N4O2S2 — CID 97041380

IUPAC(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1CSc2nccc(=O)n2C1
InChIInChI=1S/C15H16N4O2S2/c20-12-5-6-16-15-19(12)7-9(8-22-15)13(21)18-14-17-10-3-1-2-4-11(10)23-14/h5-6,9H,1-4,7-8H2,(H,17,18,21)/t9-/m0/s1
InChIKeyQSVBRIXKSQWSEJ-VIFPVBQESA-N
MW348.45 g/mol
LogP1.94
Rot. Bonds2

About (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97041380) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97041380
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1CSc2nccc(=O)n2C1
InChIInChI=1S/C15H16N4O2S2/c20-12-5-6-16-15-19(12)7-9(8-22-15)13(21)18-14-17-10-3-1-2-4-11(10)23-14/h5-6,9H,1-4,7-8H2,(H,17,18,21)/t9-/m0/s1
InChIKeyQSVBRIXKSQWSEJ-VIFPVBQESA-N
XLogP1.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97041380) is (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CSc2nccc(=O)n2C1.
What is the InChIKey of (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is QSVBRIXKSQWSEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N4O2S2/c20-12-5-6-16-15-19(12)7-9(8-22-15)13(21)18-14-17-10-3-1-2-4-11(10)23-14/h5-6,9H,1-4,7-8H2,(H,17,18,21)/t9-/m0/s1.
What are the key properties of (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97041380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).