N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine

C7H10ClN3S — CID 65277350

IUPACN-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine
SMILESClC(CNc1ncns1)C1CC1
InChIInChI=1S/C7H10ClN3S/c8-6(5-1-2-5)3-9-7-10-4-11-12-7/h4-6H,1-3H2,(H,9,10,11)
InChIKeyBPUVYSOFDALKFH-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.97
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine

N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277350) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65277350
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine
SMILESClC(CNc1ncns1)C1CC1
InChIInChI=1S/C7H10ClN3S/c8-6(5-1-2-5)3-9-7-10-4-11-12-7/h4-6H,1-3H2,(H,9,10,11)
InChIKeyBPUVYSOFDALKFH-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-2-cyclopropylethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine (CID 65277350) is N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine is ClC(CNc1ncns1)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BPUVYSOFDALKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c8-6(5-1-2-5)3-9-7-10-4-11-12-7/h4-6H,1-3H2,(H,9,10,11).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).