2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide

C20H21N3O3S2 — CID 6625408

IUPAC2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-14-6-5-7-15(10-14)21-19(24)11-23(16-8-3-2-4-9-16)20-22-17-12-28(25,26)13-18(17)27-20/h2-10,17-18H,11-13H2,1H3,(H,21,24)
InChIKeyMPWWXYZLVUBGTA-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.71
Rot. Bonds4

About 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide

2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide (PubChem CID 6625408) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide
PubChem CID6625408
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2)c1
InChIInChI=1S/C20H21N3O3S2/c1-14-6-5-7-15(10-14)21-19(24)11-23(16-8-3-2-4-9-16)20-22-17-12-28(25,26)13-18(17)27-20/h2-10,17-18H,11-13H2,1H3,(H,21,24)
InChIKeyMPWWXYZLVUBGTA-UHFFFAOYSA-N
XLogP2.71
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide (CID 6625408) is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2)c1.
What is the InChIKey of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide?
The InChIKey is MPWWXYZLVUBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-6-5-7-15(10-14)21-19(24)11-23(16-8-3-2-4-9-16)20-22-17-12-28(25,26)13-18(17)27-20/h2-10,17-18H,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide?
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).