5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine

C9H10N4S — CID 23463033

IUPAC5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccnc(C)c1-c1nnc(N)s1
InChIInChI=1S/C9H10N4S/c1-5-3-4-11-6(2)7(5)8-12-13-9(10)14-8/h3-4H,1-2H3,(H2,10,13)
InChIKeyQQNLTPBLQPQRRA-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.80
Rot. Bonds1

About 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine

5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 23463033) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID23463033
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccnc(C)c1-c1nnc(N)s1
InChIInChI=1S/C9H10N4S/c1-5-3-4-11-6(2)7(5)8-12-13-9(10)14-8/h3-4H,1-2H3,(H2,10,13)
InChIKeyQQNLTPBLQPQRRA-UHFFFAOYSA-N
XLogP1.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 23463033) is 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is Cc1ccnc(C)c1-c1nnc(N)s1.
What is the InChIKey of 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QQNLTPBLQPQRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-5-3-4-11-6(2)7(5)8-12-13-9(10)14-8/h3-4H,1-2H3,(H2,10,13).
What are the key properties of 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 206.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).