N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

C10H16BrN3S — CID 80680145

IUPACN-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)CC2CC(Br)C2)n1
InChIInChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14(2)6-7-4-8(11)5-7/h7-8H,3-6H2,1-2H3
InChIKeyFATAAKUWVJSMLP-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 80680145) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID80680145
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC NameN-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)CC2CC(Br)C2)n1
InChIInChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14(2)6-7-4-8(11)5-7/h7-8H,3-6H2,1-2H3
InChIKeyFATAAKUWVJSMLP-UHFFFAOYSA-N
XLogP2.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-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-ethyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129331437
N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 102637615
N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126857213
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
3-ethyl-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 128975037
4-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110800
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691
5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 131086575
N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65275542
N-[(3-bromocyclobutyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 80672915

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 80680145) is N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)CC2CC(Br)C2)n1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FATAAKUWVJSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14(2)6-7-4-8(11)5-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80680145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).