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

C9H8ClN3S — CID 43663914

IUPAC2-chloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccccc1NCc1csnn1
InChIInChI=1S/C9H8ClN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h1-4,6,11H,5H2
InChIKeyFOAJPICLQUAZSG-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds3

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

2-chloro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663914) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-chloro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663914
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name2-chloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccccc1NCc1csnn1
InChIInChI=1S/C9H8ClN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h1-4,6,11H,5H2
InChIKeyFOAJPICLQUAZSG-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
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-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
CID 43750220
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43729358
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-(thiadiazol-4-ylmethyl)aniline (CID 43663914) is 2-chloro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(thiadiazol-4-ylmethyl)aniline is Clc1ccccc1NCc1csnn1.
What is the InChIKey of 2-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is FOAJPICLQUAZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h1-4,6,11H,5H2.
What are the key properties of 2-chloro-N-(thiadiazol-4-ylmethyl)aniline?
2-chloro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 225.70 g/mol, XLogP of 2.80, 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)aniline is sourced from PubChem (CID 43663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).