(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H20N4O2S2 — CID 97041350

IUPAC(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)s1
InChIInChI=1S/C16H20N4O2S2/c1-9-6-17-14(24-9)19-13(22)10-7-20-12(21)5-11(16(2,3)4)18-15(20)23-8-10/h5-6,10H,7-8H2,1-4H3,(H,17,19,22)/t10-/m1/s1
InChIKeyUDDLSYDVWMDQDT-SNVBAGLBSA-N
MW364.50 g/mol
LogP2.67
Rot. Bonds2

About (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97041350) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97041350
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)s1
InChIInChI=1S/C16H20N4O2S2/c1-9-6-17-14(24-9)19-13(22)10-7-20-12(21)5-11(16(2,3)4)18-15(20)23-8-10/h5-6,10H,7-8H2,1-4H3,(H,17,19,22)/t10-/m1/s1
InChIKeyUDDLSYDVWMDQDT-SNVBAGLBSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97041350) is (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc(NC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)s1.
What is the InChIKey of (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is UDDLSYDVWMDQDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-9-6-17-14(24-9)19-13(22)10-7-20-12(21)5-11(16(2,3)4)18-15(20)23-8-10/h5-6,10H,7-8H2,1-4H3,(H,17,19,22)/t10-/m1/s1.
What are the key properties of (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97041350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).