2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C14H13N3OS2 — CID 66110993

IUPAC2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1cccc(SCc2noc(-c3sccc3N)n2)c1
InChIInChI=1S/C14H13N3OS2/c1-9-3-2-4-10(7-9)20-8-12-16-14(18-17-12)13-11(15)5-6-19-13/h2-7H,8,15H2,1H3
InChIKeyUJKXZTZBMALLPL-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.98
Rot. Bonds4

About 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 66110993) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID66110993
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1cccc(SCc2noc(-c3sccc3N)n2)c1
InChIInChI=1S/C14H13N3OS2/c1-9-3-2-4-10(7-9)20-8-12-16-14(18-17-12)13-11(15)5-6-19-13/h2-7H,8,15H2,1H3
InChIKeyUJKXZTZBMALLPL-UHFFFAOYSA-N
XLogP3.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 66051285
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66111954
4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799234
2-methyl-4-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66111371
1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66111376
5-(3-chloropropyl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66110794
cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66111771
N-ethyl-2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66111957

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 66110993) is 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine is Cc1cccc(SCc2noc(-c3sccc3N)n2)c1.
What is the InChIKey of 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is UJKXZTZBMALLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-3-2-4-10(7-9)20-8-12-16-14(18-17-12)13-11(15)5-6-19-13/h2-7H,8,15H2,1H3.
What are the key properties of 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 303.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 66110993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).