5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine

C12H13N5OS — CID 166246923

IUPAC5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
SMILESC(=N/Nc1nnc(C2CC2)s1)\c1cnc(C2CC2)o1
InChIInChI=1S/C12H13N5OS/c1-2-7(1)10-13-5-9(18-10)6-14-16-12-17-15-11(19-12)8-3-4-8/h5-8H,1-4H2,(H,16,17)/b14-6+
InChIKeyLJXCATMEDPGKSM-MKMNVTDBSA-N
MW275.34 g/mol
LogP2.73
Rot. Bonds5

About 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine (PubChem CID 166246923) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
PubChem CID166246923
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
SMILESC(=N/Nc1nnc(C2CC2)s1)\c1cnc(C2CC2)o1
InChIInChI=1S/C12H13N5OS/c1-2-7(1)10-13-5-9(18-10)6-14-16-12-17-15-11(19-12)8-3-4-8/h5-8H,1-4H2,(H,16,17)/b14-6+
InChIKeyLJXCATMEDPGKSM-MKMNVTDBSA-N
XLogP2.73
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine (CID 166246923) is 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine is C(=N/Nc1nnc(C2CC2)s1)\c1cnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine?
The InChIKey is LJXCATMEDPGKSM-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-7(1)10-13-5-9(18-10)6-14-16-12-17-15-11(19-12)8-3-4-8/h5-8H,1-4H2,(H,16,17)/b14-6+.
What are the key properties of 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 166246923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).