2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine

C11H11N5OS2 — CID 79883182

IUPAC2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
SMILESCN(C)c1nnc(Sc2nc3ccc(N)cc3o2)s1
InChIInChI=1S/C11H11N5OS2/c1-16(2)9-14-15-11(18-9)19-10-13-7-4-3-6(12)5-8(7)17-10/h3-5H,12H2,1-2H3
InChIKeyONMSSGFKCZKSJN-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.48
Rot. Bonds3

About 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine

2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine (PubChem CID 79883182) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
PubChem CID79883182
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
SMILESCN(C)c1nnc(Sc2nc3ccc(N)cc3o2)s1
InChIInChI=1S/C11H11N5OS2/c1-16(2)9-14-15-11(18-9)19-10-13-7-4-3-6(12)5-8(7)17-10/h3-5H,12H2,1-2H3
InChIKeyONMSSGFKCZKSJN-UHFFFAOYSA-N
XLogP2.48
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-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

5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737803
2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-amine
CID 55113054
2-(3-methylbutan-2-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 107747829
1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
CID 65279309
2-(2-bromophenyl)sulfanyl-1,3-benzoxazol-6-amine
CID 79883045
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-benzoxazol-6-amine
CID 55251491
2-prop-2-enylsulfanyl-1,3-benzoxazol-6-amine
CID 130507814
2-[(5-tert-butyl-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 107875348
2-(3-ethylsulfonylpropylsulfanyl)-1,3-benzoxazol-6-amine
CID 65095728
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine
CID 61371809
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 61371805
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 79883506

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine (CID 79883182) is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine is CN(C)c1nnc(Sc2nc3ccc(N)cc3o2)s1.
What is the InChIKey of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine?
The InChIKey is ONMSSGFKCZKSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c1-16(2)9-14-15-11(18-9)19-10-13-7-4-3-6(12)5-8(7)17-10/h3-5H,12H2,1-2H3.
What are the key properties of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine?
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine has a molecular weight of 293.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79883182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).