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

C17H21N3O2S2 — CID 71802329

IUPAC8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1cccs1)C2
InChIInChI=1S/C17H21N3O2S2/c1-17(2,3)13-7-14(21)20-9-11(10-24-16(20)19-13)15(22)18-8-12-5-4-6-23-12/h4-7,11H,8-10H2,1-3H3,(H,18,22)
InChIKeyULIMLVSLQGAVNU-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.64
Rot. Bonds3

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

8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802329) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802329
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1cccs1)C2
InChIInChI=1S/C17H21N3O2S2/c1-17(2,3)13-7-14(21)20-9-11(10-24-16(20)19-13)15(22)18-8-12-5-4-6-23-12/h4-7,11H,8-10H2,1-3H3,(H,18,22)
InChIKeyULIMLVSLQGAVNU-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-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-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802329) is 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1cccs1)C2.
What is the InChIKey of 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ULIMLVSLQGAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-17(2,3)13-7-14(21)20-9-11(10-24-16(20)19-13)15(22)18-8-12-5-4-6-23-12/h4-7,11H,8-10H2,1-3H3,(H,18,22).
What are the key properties of 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).