N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline

C10H7ClF3N3S — CID 1483132

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2nnsc2Cl)cc1
InChIInChI=1S/C10H7ClF3N3S/c11-9-8(16-17-18-9)5-15-7-3-1-6(2-4-7)10(12,13)14/h1-4,15H,5H2
InChIKeyUIAKCYNWQKSPKN-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.82
Rot. Bonds3

About N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline

N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 1483132) has the molecular formula C10H7ClF3N3S and a molecular weight of 293.70 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID1483132
Molecular FormulaC10H7ClF3N3S
Molecular Weight293.70 g/mol
Exact Mass293.00
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2nnsc2Cl)cc1
InChIInChI=1S/C10H7ClF3N3S/c11-9-8(16-17-18-9)5-15-7-3-1-6(2-4-7)10(12,13)14/h1-4,15H,5H2
InChIKeyUIAKCYNWQKSPKN-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-(3-chlorophenyl)-N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]amine
CID 1475984
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135153637
4-(difluoromethyl)-N-[4-(trifluoromethyl)phenyl]thiadiazole-5-carbothioamide
CID 135153640
4-(difluoromethyl)-N-(4-methylphenyl)thiadiazole-5-carbothioamide
CID 135171647
N-(3-chloro-4-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 142383473
4-(difluoromethyl)-N-[2-fluoro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbothioamide
CID 142383475
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24491229
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24491667
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline (CID 1483132) is N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2nnsc2Cl)cc1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is UIAKCYNWQKSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3S/c11-9-8(16-17-18-9)5-15-7-3-1-6(2-4-7)10(12,13)14/h1-4,15H,5H2.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(5-chlorothiadiazol-4-yl)methyl]-4-(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 N-[(5-chlorothiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 1483132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).