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

C20H27N3O3S2 — CID 20875075

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C20H27N3O3S2/c1-12-6-13(2)9-23(8-12)19(24)15-5-4-14(3)16(7-15)21-20-22-17-10-28(25,26)11-18(17)27-20/h4-5,7,12-13,17-18H,6,8-11H2,1-3H3,(H,21,22)
InChIKeyDTDDJZHSBWNSLH-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.79
Rot. Bonds2

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

(3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone (PubChem CID 20875075) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone
PubChem CID20875075
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C20H27N3O3S2/c1-12-6-13(2)9-23(8-12)19(24)15-5-4-14(3)16(7-15)21-20-22-17-10-28(25,26)11-18(17)27-20/h4-5,7,12-13,17-18H,6,8-11H2,1-3H3,(H,21,22)
InChIKeyDTDDJZHSBWNSLH-UHFFFAOYSA-N
XLogP2.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]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-Dioxo-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-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone (CID 20875075) is (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC1=NC2CS(=O)(=O)CC2S1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone?
The InChIKey is DTDDJZHSBWNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-12-6-13(2)9-23(8-12)19(24)15-5-4-14(3)16(7-15)21-20-22-17-10-28(25,26)11-18(17)27-20/h4-5,7,12-13,17-18H,6,8-11H2,1-3H3,(H,21,22).
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone has a molecular weight of 421.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylphenyl]methanone is sourced from PubChem (CID 20875075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).