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

C10H10N4S — CID 65268376

IUPACN-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
SMILESc1cc(-c2nsc(NC3CC3)n2)ccn1
InChIInChI=1S/C10H10N4S/c1-2-8(1)12-10-13-9(14-15-10)7-3-5-11-6-4-7/h3-6,8H,1-2H2,(H,12,13,14)
InChIKeyWWZGPPNECMKVLU-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.17
Rot. Bonds3

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

N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268376) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268376
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC NameN-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
SMILESc1cc(-c2nsc(NC3CC3)n2)ccn1
InChIInChI=1S/C10H10N4S/c1-2-8(1)12-10-13-9(14-15-10)7-3-5-11-6-4-7/h3-6,8H,1-2H2,(H,12,13,14)
InChIKeyWWZGPPNECMKVLU-UHFFFAOYSA-N
XLogP2.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine (CID 65268376) is N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine is c1cc(-c2nsc(NC3CC3)n2)ccn1.
What is the InChIKey of N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WWZGPPNECMKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-2-8(1)12-10-13-9(14-15-10)7-3-5-11-6-4-7/h3-6,8H,1-2H2,(H,12,13,14).
What are the key properties of N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 218.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).