8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H25N3O4S — CID 90572663

IUPAC8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)N(CCO)CCO)C2
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)12-8-13(22)19-9-11(10-24-15(19)17-12)14(23)18(4-6-20)5-7-21/h8,11,20-21H,4-7,9-10H2,1-3H3
InChIKeyJCKSLQCWJCTFBQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.08
Rot. Bonds5

About 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572663) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572663
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)N(CCO)CCO)C2
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)12-8-13(22)19-9-11(10-24-15(19)17-12)14(23)18(4-6-20)5-7-21/h8,11,20-21H,4-7,9-10H2,1-3H3
InChIKeyJCKSLQCWJCTFBQ-UHFFFAOYSA-N
XLogP0.08
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572663) is 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)N(CCO)CCO)C2.
What is the InChIKey of 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JCKSLQCWJCTFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-16(2,3)12-8-13(22)19-9-11(10-24-15(19)17-12)14(23)18(4-6-20)5-7-21/h8,11,20-21H,4-7,9-10H2,1-3H3.
What are the key properties of 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N,N-bis(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).