N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H23N3O2S — CID 90572333

IUPACN-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(C)C1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-11-8-17-16-19(14(11)20)9-12(10-22-16)15(21)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyZVMBAIQVRCUCKM-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.06
Rot. Bonds2

About N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572333) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572333
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(C)C1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-11-8-17-16-19(14(11)20)9-12(10-22-16)15(21)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyZVMBAIQVRCUCKM-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572333) is N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)N(C)C1CCCCC1)CS2.
What is the InChIKey of N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ZVMBAIQVRCUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-8-17-16-19(14(11)20)9-12(10-22-16)15(21)18(2)13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).