5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

C10H12N4S — CID 64982708

IUPAC5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C)s2)cn1
InChIInChI=1S/C10H12N4S/c1-7-3-4-9(5-11-7)6-12-10-14-13-8(2)15-10/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyMQDVZDHBVVMRJF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds3

About 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64982708) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64982708
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C)s2)cn1
InChIInChI=1S/C10H12N4S/c1-7-3-4-9(5-11-7)6-12-10-14-13-8(2)15-10/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyMQDVZDHBVVMRJF-UHFFFAOYSA-N
XLogP2.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64982708) is 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(CNc2nnc(C)s2)cn1.
What is the InChIKey of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MQDVZDHBVVMRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-3-4-9(5-11-7)6-12-10-14-13-8(2)15-10/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).