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

C12H17N3O3S — CID 90572334

IUPACN-(2-hydroxyethyl)-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)CCO)CS2
InChIInChI=1S/C12H17N3O3S/c1-8-5-13-12-15(10(8)17)6-9(7-19-12)11(18)14(2)3-4-16/h5,9,16H,3-4,6-7H2,1-2H3
InChIKeyOWGXGLWCHNJCCU-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.28
Rot. Bonds3

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

N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572334) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572334
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(2-hydroxyethyl)-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)CCO)CS2
InChIInChI=1S/C12H17N3O3S/c1-8-5-13-12-15(10(8)17)6-9(7-19-12)11(18)14(2)3-4-16/h5,9,16H,3-4,6-7H2,1-2H3
InChIKeyOWGXGLWCHNJCCU-UHFFFAOYSA-N
XLogP-0.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572334) is N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-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)CCO)CS2.
What is the InChIKey of N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is OWGXGLWCHNJCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-5-13-12-15(10(8)17)6-9(7-19-12)11(18)14(2)3-4-16/h5,9,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).