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

C9H11N5OS2 — CID 18147536

IUPACN-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C9H11N5OS2/c1-5-10-7(15-14-5)4-16-9-13-12-8(17-9)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyYLGVJMOJWCZMPF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds5

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

N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18147536) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18147536
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC NameN-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C9H11N5OS2/c1-5-10-7(15-14-5)4-16-9-13-12-8(17-9)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyYLGVJMOJWCZMPF-UHFFFAOYSA-N
XLogP2.10
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 18147536) is N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1noc(CSc2nnc(NC3CC3)s2)n1.
What is the InChIKey of N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YLGVJMOJWCZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-5-10-7(15-14-5)4-16-9-13-12-8(17-9)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).