N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

C19H18ClFN2O2S2 — CID 23603716

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1cccc(N(Cc2c(F)cccc2Cl)C2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H18ClFN2O2S2/c1-12-4-2-5-13(8-12)23(9-14-15(20)6-3-7-16(14)21)19-22-17-10-27(24,25)11-18(17)26-19/h2-8,17-18H,9-11H2,1H3
InChIKeyINQLYJHHYBPTJE-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.06
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (PubChem CID 23603716) has the molecular formula C19H18ClFN2O2S2 and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
PubChem CID23603716
Molecular FormulaC19H18ClFN2O2S2
Molecular Weight424.95 g/mol
Exact Mass424.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1cccc(N(Cc2c(F)cccc2Cl)C2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H18ClFN2O2S2/c1-12-4-2-5-13(8-12)23(9-14-15(20)6-3-7-16(14)21)19-22-17-10-27(24,25)11-18(17)26-19/h2-8,17-18H,9-11H2,1H3
InChIKeyINQLYJHHYBPTJE-UHFFFAOYSA-N
XLogP4.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (CID 23603716) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is Cc1cccc(N(Cc2c(F)cccc2Cl)C2=NC3CS(=O)(=O)CC3S2)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The InChIKey is INQLYJHHYBPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S2/c1-12-4-2-5-13(8-12)23(9-14-15(20)6-3-7-16(14)21)19-22-17-10-27(24,25)11-18(17)26-19/h2-8,17-18H,9-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine has a molecular weight of 424.95 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 23603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).