5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C12H10N4OS2 — CID 37136387

IUPAC5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cc(-c3ccccc3)no2)s1
InChIInChI=1S/C12H10N4OS2/c13-11-14-15-12(19-11)18-7-9-6-10(16-17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyTUJYAMXDUGQSAA-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.07
Rot. Bonds4

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

5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 37136387) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID37136387
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cc(-c3ccccc3)no2)s1
InChIInChI=1S/C12H10N4OS2/c13-11-14-15-12(19-11)18-7-9-6-10(16-17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)
InChIKeyTUJYAMXDUGQSAA-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

Analyze 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline
CID 79133760
3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43213313
5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
CID 47134573
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78835033
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418012
2-amino-3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid
CID 43386022
3-phenyl-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 37056227
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 37136387) is 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cc(-c3ccccc3)no2)s1.
What is the InChIKey of 5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TUJYAMXDUGQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-11-14-15-12(19-11)18-7-9-6-10(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-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-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-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 37136387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).