7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C14H21N3O3S — CID 90573011

IUPAC7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(C)CCO)CS2
InChIInChI=1S/C14H21N3O3S/c1-4-11-9(2)15-14-17(13(11)20)7-10(8-21-14)12(19)16(3)5-6-18/h10,18H,4-8H2,1-3H3
InChIKeyOUKURBJJWPILRL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.29
Rot. Bonds4

About 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573011) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573011
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(C)CCO)CS2
InChIInChI=1S/C14H21N3O3S/c1-4-11-9(2)15-14-17(13(11)20)7-10(8-21-14)12(19)16(3)5-6-18/h10,18H,4-8H2,1-3H3
InChIKeyOUKURBJJWPILRL-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573011) is 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)N(C)CCO)CS2.
What is the InChIKey of 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is OUKURBJJWPILRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-11-9(2)15-14-17(13(11)20)7-10(8-21-14)12(19)16(3)5-6-18/h10,18H,4-8H2,1-3H3.
What are the key properties of 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).