4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline

C10H7ClF3N3S — CID 43663868

IUPAC4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCc1csnn1
InChIInChI=1S/C10H7ClF3N3S/c11-6-1-2-9(8(3-6)10(12,13)14)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2
InChIKeyPYZILYTZBFFZEL-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.82
Rot. Bonds3

About 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline

4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 43663868) has the molecular formula C10H7ClF3N3S and a molecular weight of 293.70 g/mol. Its IUPAC name is 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID43663868
Molecular FormulaC10H7ClF3N3S
Molecular Weight293.70 g/mol
Exact Mass293.00
IUPAC Name4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCc1csnn1
InChIInChI=1S/C10H7ClF3N3S/c11-6-1-2-9(8(3-6)10(12,13)14)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2
InChIKeyPYZILYTZBFFZEL-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]amine
CID 1483131
N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 1483132
2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 43663805
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663831
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43663832
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
CID 43663864
5-fluoro-2-methyl-N-[(1,2,3-thiadiazol-4-yl)methyl]aniline
CID 43663925
4-fluoro-2-methyl-N-[(1,2,3-thiadiazol-4-yl)methyl]aniline
CID 43663933
3-chloro-4-fluoro-N-[(1,2,3-thiadiazol-4-yl)methyl]aniline
CID 43664094
2-chloro-N-(thiadiazol-4-ylmethyl)-6-(trifluoromethyl)aniline
CID 43664096
3-chloro-2-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664099
2-chloro-4-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline (CID 43663868) is 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)ccc1NCc1csnn1.
What is the InChIKey of 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is PYZILYTZBFFZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3S/c11-6-1-2-9(8(3-6)10(12,13)14)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2.
What are the key properties of 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline?
4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 293.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43663868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).