N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine

C14H9FN6S — CID 53316790

IUPACN-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
SMILESFc1cccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)c1
InChIInChI=1S/C14H9FN6S/c15-8-2-1-3-9(6-8)16-13-10-4-5-22-12(10)7-11(17-13)14-18-20-21-19-14/h1-7H,(H,16,17)(H,18,19,20,21)
InChIKeyUSQGJHATKLPLMN-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.36
Rot. Bonds3

About N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine

N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 53316790) has the molecular formula C14H9FN6S and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID53316790
Molecular FormulaC14H9FN6S
Molecular Weight312.33 g/mol
Exact Mass312.06
IUPAC NameN-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
SMILESFc1cccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)c1
InChIInChI=1S/C14H9FN6S/c15-8-2-1-3-9(6-8)16-13-10-4-5-22-12(10)7-11(17-13)14-18-20-21-19-14/h1-7H,(H,16,17)(H,18,19,20,21)
InChIKeyUSQGJHATKLPLMN-UHFFFAOYSA-N
XLogP3.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine (CID 53316790) is N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine is Fc1cccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is USQGJHATKLPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6S/c15-8-2-1-3-9(6-8)16-13-10-4-5-22-12(10)7-11(17-13)14-18-20-21-19-14/h1-7H,(H,16,17)(H,18,19,20,21).
What are the key properties of N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 312.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 53316790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).