2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline

C10H7ClF3N3S — CID 43663805

IUPAC2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C10H7ClF3N3S/c11-8-2-1-6(10(12,13)14)3-9(8)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2
InChIKeyCMPRJABCMSXRTI-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline

2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 43663805) has the molecular formula C10H7ClF3N3S and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID43663805
Molecular FormulaC10H7ClF3N3S
Molecular Weight293.70 g/mol
Exact Mass293.00
IUPAC Name2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C10H7ClF3N3S/c11-8-2-1-6(10(12,13)14)3-9(8)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2
InChIKeyCMPRJABCMSXRTI-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline (CID 43663805) is 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCc2csnn2)c1.
What is the InChIKey of 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is CMPRJABCMSXRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3S/c11-8-2-1-6(10(12,13)14)3-9(8)15-4-7-5-18-17-16-7/h1-3,5,15H,4H2.
What are the key properties of 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
2-chloro-N-(thiadiazol-4-ylmethyl)-5-(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 2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43663805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).