5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine

C8H8N4S — CID 2725837

IUPAC5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccnc2)s1
InChIInChI=1S/C8H8N4S/c1-6-11-12-8(13-6)10-7-3-2-4-9-5-7/h2-5H,1H3,(H,10,12)
InChIKeyQUILENUBGDVVEW-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.99
Rot. Bonds2

About 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine

5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 2725837) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID2725837
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccnc2)s1
InChIInChI=1S/C8H8N4S/c1-6-11-12-8(13-6)10-7-3-2-4-9-5-7/h2-5H,1H3,(H,10,12)
InChIKeyQUILENUBGDVVEW-UHFFFAOYSA-N
XLogP1.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-3-ylthiatriazol-5-amine
CID 12638193
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
ethane;N-(2-methylphenyl)pyridin-3-amine
CID 143449341
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine (CID 2725837) is 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cccnc2)s1.
What is the InChIKey of 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is QUILENUBGDVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-6-11-12-8(13-6)10-7-3-2-4-9-5-7/h2-5H,1H3,(H,10,12).
What are the key properties of 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine?
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2725837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).