4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline

C10H7ClN4S — CID 82166605

IUPAC4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnc3sccn23)c1
InChIInChI=1S/C10H7ClN4S/c11-8-2-1-6(12)5-7(8)9-13-14-10-15(9)3-4-16-10/h1-5H,12H2
InChIKeyQMSUUVAIDKYIID-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.69
Rot. Bonds1

About 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline

4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (PubChem CID 82166605) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
PubChem CID82166605
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnc3sccn23)c1
InChIInChI=1S/C10H7ClN4S/c11-8-2-1-6(12)5-7(8)9-13-14-10-15(9)3-4-16-10/h1-5H,12H2
InChIKeyQMSUUVAIDKYIID-UHFFFAOYSA-N
XLogP2.69
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
4-chloro-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)aniline
CID 61361168
4-chloro-3-(1-pentyltetrazol-5-yl)aniline
CID 61353076
[3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]methanamine
CID 82166607
4-chloro-3-thiophen-2-ylaniline
CID 61317798
3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 61398971
4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
CID 82167064
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079
4-chloro-3-[1-(2,5-dichlorophenyl)tetrazol-5-yl]aniline
CID 61353052
3,4-dichloroaniline
CID 7257
4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010924
4-chloro-3-[1-(2,2-difluoroethyl)tetrazol-5-yl]aniline
CID 113304028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The IUPAC name of 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (CID 82166605) is 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.
What is the SMILES notation for 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The canonical SMILES for 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is Nc1ccc(Cl)c(-c2nnc3sccn23)c1.
What is the InChIKey of 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The InChIKey is QMSUUVAIDKYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-8-2-1-6(12)5-7(8)9-13-14-10-15(9)3-4-16-10/h1-5H,12H2.
What are the key properties of 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline has a molecular weight of 250.71 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is sourced from PubChem (CID 82166605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).