N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine

C9H14ClN3S — CID 43423070

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H14ClN3S/c1-6(7-3-4-7)13(2)5-8-9(10)14-12-11-8/h6-7H,3-5H2,1-2H3
InChIKeyFHMYQEBYMYGXHX-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.42
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 43423070) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine
PubChem CID43423070
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H14ClN3S/c1-6(7-3-4-7)13(2)5-8-9(10)14-12-11-8/h6-7H,3-5H2,1-2H3
InChIKeyFHMYQEBYMYGXHX-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine 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

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 61605673
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
CID 47053953
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43408457
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 43408478
5-Chloro-4-[(3-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408479
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine (CID 43423070) is N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine is CC(C1CC1)N(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is FHMYQEBYMYGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-6(7-3-4-7)13(2)5-8-9(10)14-12-11-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 231.75 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 43423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).