3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

C14H18ClN3OS — CID 170866157

IUPAC3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C14H18ClN3OS/c1-18(2)9-3-4-11-5-7-12(8-6-11)19-10-13-14(15)20-17-16-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyPCUKOOJBFXNJFD-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.26
Rot. Bonds7

About 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866157) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866157
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C14H18ClN3OS/c1-18(2)9-3-4-11-5-7-12(8-6-11)19-10-13-14(15)20-17-16-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyPCUKOOJBFXNJFD-UHFFFAOYSA-N
XLogP3.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-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

5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
CID 43407935
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
CID 43407940
N,N-dimethyl-3-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 170865655
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole
CID 43407921
4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole
CID 43407979
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
(5-chlorothiadiazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55419183
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866157) is 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(OCc2nnsc2Cl)cc1.
What is the InChIKey of 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is PCUKOOJBFXNJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-18(2)9-3-4-11-5-7-12(8-6-11)19-10-13-14(15)20-17-16-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 311.84 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).