N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine

C13H12Cl2FN3S — CID 47014143

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1CN(Cc1nnsc1Cl)C1CC1
InChIInChI=1S/C13H12Cl2FN3S/c14-10-2-1-3-11(16)9(10)6-19(8-4-5-8)7-12-13(15)20-18-17-12/h1-3,8H,4-7H2
InChIKeyNPPVTRMKHHULEI-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine (PubChem CID 47014143) has the molecular formula C13H12Cl2FN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine
PubChem CID47014143
Molecular FormulaC13H12Cl2FN3S
Molecular Weight332.23 g/mol
Exact Mass331.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1CN(Cc1nnsc1Cl)C1CC1
InChIInChI=1S/C13H12Cl2FN3S/c14-10-2-1-3-11(16)9(10)6-19(8-4-5-8)7-12-13(15)20-18-17-12/h1-3,8H,4-7H2
InChIKeyNPPVTRMKHHULEI-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine 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-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 33195854
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
(1S)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-(3,4-difluorophenyl)ethanol
CID 97187069
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986108
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine (CID 47014143) is N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine is Fc1cccc(Cl)c1CN(Cc1nnsc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is NPPVTRMKHHULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3S/c14-10-2-1-3-11(16)9(10)6-19(8-4-5-8)7-12-13(15)20-18-17-12/h1-3,8H,4-7H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 332.23 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 47014143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).