[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone

C19H25N3O3S2 — CID 20875082

IUPAC[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C19H25N3O3S2/c1-12-5-7-22(8-6-12)18(23)14-4-3-13(2)15(9-14)20-19-21-16-10-27(24,25)11-17(16)26-19/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyJAZPVEZNRJHVOV-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.55
Rot. Bonds2

About [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone

[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 20875082) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID20875082
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C19H25N3O3S2/c1-12-5-7-22(8-6-12)18(23)14-4-3-13(2)15(9-14)20-19-21-16-10-27(24,25)11-17(16)26-19/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyJAZPVEZNRJHVOV-UHFFFAOYSA-N
XLogP2.55
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4543216
2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 20874995
2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(4-methylphenethyl)acetamide
CID 20875024
{4-[(5,5-Dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 22588447
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(2-phenylethyl)benzamide
CID 3607666
(4-Benzylpiperazin-1-yl)-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]methanone
CID 4176489
4-[(5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-N-(4-ethylphenyl)benzamide
CID 4176498
N-(1,1-dioxothiolan-3-yl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4853063
N-[(2E)-3-(3-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
CID 4909206
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4989074
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]methanone
CID 5163063

Frequently Asked Questions

What is the IUPAC name of [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone (CID 20875082) is [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC1=NC2CS(=O)(=O)CC2S1.
What is the InChIKey of [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JAZPVEZNRJHVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-12-5-7-22(8-6-12)18(23)14-4-3-13(2)15(9-14)20-19-21-16-10-27(24,25)11-17(16)26-19/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 407.56 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20875082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).