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

C8H8N4S — CID 649971

IUPACN-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccncc2)s1
InChIInChI=1S/C8H8N4S/c1-9-8-12-11-7(13-8)6-2-4-10-5-3-6/h2-5H,1H3,(H,9,12)
InChIKeyWGYVCDAYEBIDET-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.64
Rot. Bonds2

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

N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 649971) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID649971
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC NameN-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccncc2)s1
InChIInChI=1S/C8H8N4S/c1-9-8-12-11-7(13-8)6-2-4-10-5-3-6/h2-5H,1H3,(H,9,12)
InChIKeyWGYVCDAYEBIDET-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 649971) is N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is WGYVCDAYEBIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-9-8-12-11-7(13-8)6-2-4-10-5-3-6/h2-5H,1H3,(H,9,12).
What are the key properties of N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 649971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).