2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine

C12H10N4OS2 — CID 65274783

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(Sc3nc(C4CC4)ns3)nc2c1
InChIInChI=1S/C12H10N4OS2/c13-7-3-4-9-8(5-7)14-11(17-9)18-12-15-10(16-19-12)6-1-2-6/h3-6H,1-2,13H2
InChIKeyYVXRRNMLTQRPRG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.29
Rot. Bonds3

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine (PubChem CID 65274783) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine
PubChem CID65274783
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(Sc3nc(C4CC4)ns3)nc2c1
InChIInChI=1S/C12H10N4OS2/c13-7-3-4-9-8(5-7)14-11(17-9)18-12-15-10(16-19-12)6-1-2-6/h3-6H,1-2,13H2
InChIKeyYVXRRNMLTQRPRG-UHFFFAOYSA-N
XLogP3.29
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine
CID 61371809
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-1H-pyrimidin-6-one
CID 79891059
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-(6-oxaspiro[4.5]decan-9-ylsulfanyl)-1,3-benzoxazol-5-amine
CID 79909287
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-3-bromobenzonitrile
CID 82800963
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methyl-1H-pyrimidin-6-one
CID 114585563
N-[4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]phenyl]acetamide
CID 79881629
2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 62549155
3-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]butan-2-ol
CID 107770293
2-(6-propylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-5-amine
CID 61370820
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-5-methylbenzonitrile
CID 107931886
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1,3-benzoxazol-5-amine
CID 79214560

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine (CID 65274783) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine is Nc1ccc2oc(Sc3nc(C4CC4)ns3)nc2c1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The InChIKey is YVXRRNMLTQRPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-7-3-4-9-8(5-7)14-11(17-9)18-12-15-10(16-19-12)6-1-2-6/h3-6H,1-2,13H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine has a molecular weight of 290.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 65274783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).