4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide

C12H15N5S2 — CID 81052540

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nc(CC)ns2)cc(C)nc1C
InChIInChI=1S/C12H15N5S2/c1-4-9-16-12(19-17-9)18-8-5-6(2)15-7(3)10(8)11(13)14/h5H,4H2,1-3H3,(H3,13,14)
InChIKeyRLBRPZHWQRULCS-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.55
Rot. Bonds4

About 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81052540) has the molecular formula C12H15N5S2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81052540
Molecular FormulaC12H15N5S2
Molecular Weight293.42 g/mol
Exact Mass293.08
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2nc(CC)ns2)cc(C)nc1C
InChIInChI=1S/C12H15N5S2/c1-4-9-16-12(19-17-9)18-8-5-6(2)15-7(3)10(8)11(13)14/h5H,4H2,1-3H3,(H3,13,14)
InChIKeyRLBRPZHWQRULCS-UHFFFAOYSA-N
XLogP2.55
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide (CID 81052540) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(Sc2nc(CC)ns2)cc(C)nc1C.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is RLBRPZHWQRULCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S2/c1-4-9-16-12(19-17-9)18-8-5-6(2)15-7(3)10(8)11(13)14/h5H,4H2,1-3H3,(H3,13,14).
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81052540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).