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

C19H19FN2O2S2 — CID 23603715

IUPACN-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1cccc(N(Cc2ccccc2F)C2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H19FN2O2S2/c1-13-5-4-7-15(9-13)22(10-14-6-2-3-8-16(14)20)19-21-17-11-26(23,24)12-18(17)25-19/h2-9,17-18H,10-12H2,1H3
InChIKeyOCYQEQMLEXMKRS-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.41
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (PubChem CID 23603715) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2-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-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
PubChem CID23603715
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCc1cccc(N(Cc2ccccc2F)C2=NC3CS(=O)(=O)CC3S2)c1
InChIInChI=1S/C19H19FN2O2S2/c1-13-5-4-7-15(9-13)22(10-14-6-2-3-8-16(14)20)19-21-17-11-26(23,24)12-18(17)25-19/h2-9,17-18H,10-12H2,1H3
InChIKeyOCYQEQMLEXMKRS-UHFFFAOYSA-N
XLogP3.41
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-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-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (CID 23603715) is N-[(2-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-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-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is Cc1cccc(N(Cc2ccccc2F)C2=NC3CS(=O)(=O)CC3S2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The InChIKey is OCYQEQMLEXMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c1-13-5-4-7-15(9-13)22(10-14-6-2-3-8-16(14)20)19-21-17-11-26(23,24)12-18(17)25-19/h2-9,17-18H,10-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
N-[(2-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 390.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-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 23603715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).