4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide

C11H13N5S2 — CID 61175801

IUPAC4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Sc1nnc(C)s1
InChIInChI=1S/C11H13N5S2/c1-5-4-6(2)14-10(8(5)9(12)13)18-11-16-15-7(3)17-11/h4H,1-3H3,(H3,12,13)
InChIKeyZQKIOWZPRPZLFS-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.29
Rot. Bonds3

About 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide

4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 61175801) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID61175801
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Sc1nnc(C)s1
InChIInChI=1S/C11H13N5S2/c1-5-4-6(2)14-10(8(5)9(12)13)18-11-16-15-7(3)17-11/h4H,1-3H3,(H3,12,13)
InChIKeyZQKIOWZPRPZLFS-UHFFFAOYSA-N
XLogP2.29
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.29
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 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (CID 61175801) is 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Sc1nnc(C)s1.
What is the InChIKey of 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is ZQKIOWZPRPZLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-5-4-6(2)14-10(8(5)9(12)13)18-11-16-15-7(3)17-11/h4H,1-3H3,(H3,12,13).
What are the key properties of 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 61175801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).