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

C10H12N4S — CID 115924977

IUPAC5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C)s2)nc1
InChIInChI=1S/C10H12N4S/c1-7-3-4-9(11-5-7)6-12-10-14-13-8(2)15-10/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyHASHPSIIXZSJQB-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds3

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

5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115924977) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID115924977
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(C)s2)nc1
InChIInChI=1S/C10H12N4S/c1-7-3-4-9(11-5-7)6-12-10-14-13-8(2)15-10/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyHASHPSIIXZSJQB-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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Related Compounds

5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648229
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
6-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]pyridin-3-ol
CID 106260766
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924966
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 115924977) is 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(CNc2nnc(C)s2)nc1.
What is the InChIKey of 5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HASHPSIIXZSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-3-4-9(11-5-7)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-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(5-methyl-2-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-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).