N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine

C14H17N3OS — CID 43675543

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
SMILESCc1nnc(-c2ccccc2NC2CCSCC2)o1
InChIInChI=1S/C14H17N3OS/c1-10-16-17-14(18-10)12-4-2-3-5-13(12)15-11-6-8-19-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyKGSDFNHOILTFIB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.35
Rot. Bonds3

About N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine (PubChem CID 43675543) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
PubChem CID43675543
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
SMILESCc1nnc(-c2ccccc2NC2CCSCC2)o1
InChIInChI=1S/C14H17N3OS/c1-10-16-17-14(18-10)12-4-2-3-5-13(12)15-11-6-8-19-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyKGSDFNHOILTFIB-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}quinolin-2(1H)-one
CID 712681
[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 646163
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 1143042
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 713384
N-[2-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenyl]-benzamide
CID 1156646
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 3137384
2-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
CID 56970372
Methyl 2-[({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
CID 1122070
N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide
CID 2545810
(2E)-3-(3-fluorophenyl)-N-{2-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}prop-2-enamide
CID 16448325
N-(4-{[(5-Phenyl-1,3,4-oxadiazol-2-YL)methyl]sulfanyl}phenyl)butanamide
CID 50826366

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine (CID 43675543) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine is Cc1nnc(-c2ccccc2NC2CCSCC2)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine?
The InChIKey is KGSDFNHOILTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-16-17-14(18-10)12-4-2-3-5-13(12)15-11-6-8-19-9-7-11/h2-5,11,15H,6-9H2,1H3.
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine is sourced from PubChem (CID 43675543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).