N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C11H12N4S — CID 65268605

IUPACN-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc(Cc2nsc(NC3CC3)n2)nc1
InChIInChI=1S/C11H12N4S/c1-2-6-12-9(3-1)7-10-14-11(16-15-10)13-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,13,14,15)
InChIKeyLMQGDXIKBHOAFJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.10
Rot. Bonds4

About N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268605) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268605
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc(Cc2nsc(NC3CC3)n2)nc1
InChIInChI=1S/C11H12N4S/c1-2-6-12-9(3-1)7-10-14-11(16-15-10)13-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,13,14,15)
InChIKeyLMQGDXIKBHOAFJ-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268608
5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
CID 102618578
3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 133318293
N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268376
N-cyclopropyl-3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066426
6-(cyclopropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 84570874
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271851
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
N-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 17455895
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268605) is N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1ccc(Cc2nsc(NC3CC3)n2)nc1.
What is the InChIKey of N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LMQGDXIKBHOAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-6-12-9(3-1)7-10-14-11(16-15-10)13-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,13,14,15).
What are the key properties of N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 232.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).