N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

C20H22N2O2S2 — CID 23603802

IUPACN-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1ccc(N(Cc2ccccc2)C2=NC3CS(=O)(=O)CC3S2)cc1C
InChIInChI=1S/C20H22N2O2S2/c1-14-8-9-17(10-15(14)2)22(11-16-6-4-3-5-7-16)20-21-18-12-26(23,24)13-19(18)25-20/h3-10,18-19H,11-13H2,1-2H3
InChIKeyMPQZFCGENIZQSG-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.58
Rot. Bonds3

About N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (PubChem CID 23603802) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
PubChem CID23603802
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1ccc(N(Cc2ccccc2)C2=NC3CS(=O)(=O)CC3S2)cc1C
InChIInChI=1S/C20H22N2O2S2/c1-14-8-9-17(10-15(14)2)22(11-16-6-4-3-5-7-16)20-21-18-12-26(23,24)13-19(18)25-20/h3-10,18-19H,11-13H2,1-2H3
InChIKeyMPQZFCGENIZQSG-UHFFFAOYSA-N
XLogP3.58
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (CID 23603802) is N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is Cc1ccc(N(Cc2ccccc2)C2=NC3CS(=O)(=O)CC3S2)cc1C.
What is the InChIKey of N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The InChIKey is MPQZFCGENIZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-14-8-9-17(10-15(14)2)22(11-16-6-4-3-5-7-16)20-21-18-12-26(23,24)13-19(18)25-20/h3-10,18-19H,11-13H2,1-2H3.
What are the key properties of N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine has a molecular weight of 386.54 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 23603802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).