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

C9H7ClFN3S — CID 107527302

IUPAC2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C9H7ClFN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyHYUVRMSJZCVAAD-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.94
Rot. Bonds3

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

2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 107527302) has the molecular formula C9H7ClFN3S and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID107527302
Molecular FormulaC9H7ClFN3S
Molecular Weight243.69 g/mol
Exact Mass243.00
IUPAC Name2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C9H7ClFN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyHYUVRMSJZCVAAD-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 103865833
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43725199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline (CID 107527302) is 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline is Fc1ccc(Cl)c(NCc2csnn2)c1.
What is the InChIKey of 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is HYUVRMSJZCVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2.
What are the key properties of 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline?
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 243.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 107527302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).