2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline

C11H8ClN5S — CID 115548041

IUPAC2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1nnnn1-c1ccsc1
InChIInChI=1S/C11H8ClN5S/c12-9-3-1-2-8(10(9)13)11-14-15-16-17(11)7-4-5-18-6-7/h1-6H,13H2
InChIKeyASJHHLHNJPSYSA-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline

2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline (PubChem CID 115548041) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline
PubChem CID115548041
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1nnnn1-c1ccsc1
InChIInChI=1S/C11H8ClN5S/c12-9-3-1-2-8(10(9)13)11-14-15-16-17(11)7-4-5-18-6-7/h1-6H,13H2
InChIKeyASJHHLHNJPSYSA-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66353709
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
2-chloro-6-[1-(2,6-dibromophenyl)tetrazol-5-yl]aniline
CID 107603020
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943
4,5-dimethoxy-2-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66350648
2-[1-(4-bromo-2-fluorophenyl)tetrazol-5-yl]-6-chloroaniline
CID 115547888
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
CID 115547874
2-chloro-6-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115548061
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
CID 829537
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline?
The IUPAC name of 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline (CID 115548041) is 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline is Nc1c(Cl)cccc1-c1nnnn1-c1ccsc1.
What is the InChIKey of 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline?
The InChIKey is ASJHHLHNJPSYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-9-3-1-2-8(10(9)13)11-14-15-16-17(11)7-4-5-18-6-7/h1-6H,13H2.
What are the key properties of 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline?
2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline has a molecular weight of 277.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-thiophen-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 115548041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).