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

C12H10N4OS2 — CID 65142179

IUPAC4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(CSc3ccccc3)no2)cs1
InChIInChI=1S/C12H10N4OS2/c13-12-14-9(6-19-12)11-15-10(16-17-11)7-18-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyJABOGNIFGMSUOM-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.07
Rot. Bonds4

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

4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 65142179) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID65142179
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(CSc3ccccc3)no2)cs1
InChIInChI=1S/C12H10N4OS2/c13-12-14-9(6-19-12)11-15-10(16-17-11)7-18-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyJABOGNIFGMSUOM-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

4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937
[4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380339
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
4-methyl-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65144041
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676807
N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 76853308
4-[[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 66150064
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116743724
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 66110993
3-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 65142179) is 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Nc1nc(-c2nc(CSc3ccccc3)no2)cs1.
What is the InChIKey of 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is JABOGNIFGMSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-12-14-9(6-19-12)11-15-10(16-17-11)7-18-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14).
What are the key properties of 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-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 4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65142179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).