2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

C16H23N3OS2 — CID 133479437

IUPAC2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(N2CCS(=O)C(CC)(CC)C2)c2ccsc2n1
InChIInChI=1S/C16H23N3OS2/c1-4-13-17-14(12-7-9-21-15(12)18-13)19-8-10-22(20)16(5-2,6-3)11-19/h7,9H,4-6,8,10-11H2,1-3H3
InChIKeyFABPKWRMPSBRHB-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.38
Rot. Bonds4

About 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 133479437) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID133479437
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(N2CCS(=O)C(CC)(CC)C2)c2ccsc2n1
InChIInChI=1S/C16H23N3OS2/c1-4-13-17-14(12-7-9-21-15(12)18-13)19-8-10-22(20)16(5-2,6-3)11-19/h7,9H,4-6,8,10-11H2,1-3H3
InChIKeyFABPKWRMPSBRHB-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
CID 133404794
4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479608
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133404732

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 133479437) is 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide is CCc1nc(N2CCS(=O)C(CC)(CC)C2)c2ccsc2n1.
What is the InChIKey of 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is FABPKWRMPSBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-4-13-17-14(12-7-9-21-15(12)18-13)19-8-10-22(20)16(5-2,6-3)11-19/h7,9H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide?
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 337.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).