N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine

C11H11ClFN3S — CID 43408737

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(F)c1)Cc1nnsc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-16(7-10-11(12)17-15-14-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChIKeyRBPBRKSZNWUPHY-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.96
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 43408737) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID43408737
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(F)c1)Cc1nnsc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-16(7-10-11(12)17-15-14-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChIKeyRBPBRKSZNWUPHY-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(5-chlorothiadiazol-4-yl)methyl]propan-2-amine
CID 43408641
1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013665
4-[[(5-Chlorothiadiazol-4-yl)methyl-propylamino]methyl]benzonitrile
CID 47039000
4-[1-[(5-Chlorothiadiazol-4-yl)methyl-ethylamino]ethyl]benzonitrile
CID 51091044
4-[[(5-Chlorothiadiazol-4-yl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 51098705
N-[(3-chlorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]propan-2-amine
CID 52274516
4-[(4-Benzylpiperazin-1-yl)methyl]-5-chlorothiadiazole
CID 43407815
5-Chloro-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]thiadiazole
CID 51075593
N-[(5-chlorothiadiazol-4-yl)methyl]-4-fluoro-N-propan-2-ylaniline
CID 52835681
3-[(5-Chlorothiadiazol-4-yl)methyl]-4-(3-fluorophenyl)-1,3-thiazol-2-one
CID 53573209
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methyl-1-phenylethanamine
CID 53601427
5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
CID 24657280

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (CID 43408737) is N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine is CN(Cc1cccc(F)c1)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is RBPBRKSZNWUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-16(7-10-11(12)17-15-14-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 2.96, 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-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43408737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).