N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H23N3O2S — CID 90572571

IUPACN-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCC1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-11-7-18-16-19(15(11)21)9-13(10-22-16)14(20)17-8-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,20)
InChIKeySFISQEKDEVGYPW-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.97
Rot. Bonds3

About N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572571) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572571
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCC1CCCCC1)CS2
InChIInChI=1S/C16H23N3O2S/c1-11-7-18-16-19(15(11)21)9-13(10-22-16)14(20)17-8-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,20)
InChIKeySFISQEKDEVGYPW-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572571) is N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)NCC1CCCCC1)CS2.
What is the InChIKey of N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is SFISQEKDEVGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-7-18-16-19(15(11)21)9-13(10-22-16)14(20)17-8-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,20).
What are the key properties of N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(cyclohexylmethyl)-7-methyl-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 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).