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

C9H10N4S — CID 776566

IUPACN-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H10N4S/c1-2-11-9-13-12-8(14-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,11,13)
InChIKeySEAPAUSLGKJKMP-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.03
Rot. Bonds3

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

N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 776566) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID776566
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H10N4S/c1-2-11-9-13-12-8(14-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,11,13)
InChIKeySEAPAUSLGKJKMP-UHFFFAOYSA-N
XLogP2.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 776566) is N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SEAPAUSLGKJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-11-9-13-12-8(14-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3,(H,11,13).
What are the key properties of N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 776566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).