5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

C12H10N4OS2 — CID 43250103

IUPAC5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C12H10N4OS2/c13-12-14-6-10(19-12)18-7-9-15-11(16-17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyFELYNVZMBXELBU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.07
Rot. Bonds4

About 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250103) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250103
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C12H10N4OS2/c13-12-14-6-10(19-12)18-7-9-15-11(16-17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyFELYNVZMBXELBU-UHFFFAOYSA-N
XLogP3.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782690
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250000
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252
3-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43303046
4-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79126709
3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 7889538
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 75380493
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
CID 43301014

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43250103) is 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2nc(-c3ccccc3)no2)s1.
What is the InChIKey of 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is FELYNVZMBXELBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-12-14-6-10(19-12)18-7-9-15-11(16-17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14).
What are the key properties of 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).