N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

C6H7ClF3N3S — CID 60890988

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1nnsc1Cl)CC(F)(F)F
InChIInChI=1S/C6H7ClF3N3S/c1-13(3-6(8,9)10)2-4-5(7)14-12-11-4/h2-3H2,1H3
InChIKeyBCUFEHQAHXHYCN-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.19
Rot. Bonds3

About N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 60890988) has the molecular formula C6H7ClF3N3S and a molecular weight of 245.66 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID60890988
Molecular FormulaC6H7ClF3N3S
Molecular Weight245.66 g/mol
Exact Mass245.00
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1nnsc1Cl)CC(F)(F)F
InChIInChI=1S/C6H7ClF3N3S/c1-13(3-6(8,9)10)2-4-5(7)14-12-11-4/h2-3H2,1H3
InChIKeyBCUFEHQAHXHYCN-UHFFFAOYSA-N
XLogP2.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
5-Chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 52367106
N-[(5-chlorothiadiazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61518000
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-1-amine
CID 61605739
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 61606018
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611826
5-Chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole
CID 131110926
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-4,4-difluoropiperidine
CID 164657131
[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
CID 165500389
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 60890988) is N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1nnsc1Cl)CC(F)(F)F.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is BCUFEHQAHXHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3S/c1-13(3-6(8,9)10)2-4-5(7)14-12-11-4/h2-3H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 245.66 g/mol, XLogP of 2.19, 3 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]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 60890988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).