5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H15N5OS2 — CID 35363152

IUPAC5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C10H15N5OS2/c1-10(2,3)7-12-6(15-16-7)5-17-9-14-13-8(11-4)18-9/h5H2,1-4H3,(H,11,13)
InChIKeyKDQHACSCTTXUSX-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.55
Rot. Bonds4

About 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 35363152) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID35363152
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC Name5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2noc(C(C)(C)C)n2)s1
InChIInChI=1S/C10H15N5OS2/c1-10(2,3)7-12-6(15-16-7)5-17-9-14-13-8(11-4)18-9/h5H2,1-4H3,(H,11,13)
InChIKeyKDQHACSCTTXUSX-UHFFFAOYSA-N
XLogP2.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 35363152) is 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2noc(C(C)(C)C)n2)s1.
What is the InChIKey of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KDQHACSCTTXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c1-10(2,3)7-12-6(15-16-7)5-17-9-14-13-8(11-4)18-9/h5H2,1-4H3,(H,11,13).
What are the key properties of 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35363152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).