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

C10H15N5OS2 — CID 18166508

IUPACN-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC(C)(C)C)s2)n1
InChIInChI=1S/C10H15N5OS2/c1-6-11-7(16-15-6)5-17-9-14-13-8(18-9)12-10(2,3)4/h5H2,1-4H3,(H,12,13)
InChIKeyZOSUEAIPKIOVPI-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.73
Rot. Bonds4

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

N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18166508) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18166508
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC NameN-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC(C)(C)C)s2)n1
InChIInChI=1S/C10H15N5OS2/c1-6-11-7(16-15-6)5-17-9-14-13-8(18-9)12-10(2,3)4/h5H2,1-4H3,(H,12,13)
InChIKeyZOSUEAIPKIOVPI-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 18166508) is N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1noc(CSc2nnc(NC(C)(C)C)s2)n1.
What is the InChIKey of N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZOSUEAIPKIOVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c1-6-11-7(16-15-6)5-17-9-14-13-8(18-9)12-10(2,3)4/h5H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18166508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).