(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C17H15Cl2N3OS2 — CID 34315204

IUPAC(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1/sc2nc([C@H]3[C@H](C=C(Cl)Cl)C3(C)C)nn2c1=O
InChIInChI=1S/C17H15Cl2N3OS2/c1-8-4-5-24-10(8)7-11-15(23)22-16(25-11)20-14(21-22)13-9(6-12(18)19)17(13,2)3/h4-7,9,13H,1-3H3/b11-7+/t9-,13+/m0/s1
InChIKeyFNELHIBKLOEYCG-WJZZQPEJSA-N
MW412.37 g/mol
LogP4.13
Rot. Bonds3

About (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 34315204) has the molecular formula C17H15Cl2N3OS2 and a molecular weight of 412.37 g/mol. Its IUPAC name is (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID34315204
Molecular FormulaC17H15Cl2N3OS2
Molecular Weight412.37 g/mol
Exact Mass411.00
IUPAC Name(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1/sc2nc([C@H]3[C@H](C=C(Cl)Cl)C3(C)C)nn2c1=O
InChIInChI=1S/C17H15Cl2N3OS2/c1-8-4-5-24-10(8)7-11-15(23)22-16(25-11)20-14(21-22)13-9(6-12(18)19)17(13,2)3/h4-7,9,13H,1-3H3/b11-7+/t9-,13+/m0/s1
InChIKeyFNELHIBKLOEYCG-WJZZQPEJSA-N
XLogP4.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Related Compounds

(5Z)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34315371
(5Z)-2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 45128916
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34315172
(5E)-2-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34315279
5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4094129
(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6383705
2-(3-methylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 936372
(2Z)-6-benzyl-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184345
6-[(4-methylphenyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3490960
(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 7316147
methyl (5S)-5-(2-chlorophenyl)-7-methyl-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129444470
(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256146

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 34315204) is (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccsc1/C=c1/sc2nc([C@H]3[C@H](C=C(Cl)Cl)C3(C)C)nn2c1=O.
What is the InChIKey of (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is FNELHIBKLOEYCG-WJZZQPEJSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS2/c1-8-4-5-24-10(8)7-11-15(23)22-16(25-11)20-14(21-22)13-9(6-12(18)19)17(13,2)3/h4-7,9,13H,1-3H3/b11-7+/t9-,13+/m0/s1.
What are the key properties of (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 412.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 34315204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).