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

C14H10N6S — CID 53317961

IUPACN-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)cc1
InChIInChI=1S/C14H10N6S/c1-2-4-9(5-3-1)15-13-10-6-7-21-12(10)8-11(16-13)14-17-19-20-18-14/h1-8H,(H,15,16)(H,17,18,19,20)
InChIKeyCEASEEBPKYMCDH-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.22
Rot. Bonds3

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

N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 53317961) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID53317961
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC NameN-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)cc1
InChIInChI=1S/C14H10N6S/c1-2-4-9(5-3-1)15-13-10-6-7-21-12(10)8-11(16-13)14-17-19-20-18-14/h1-8H,(H,15,16)(H,17,18,19,20)
InChIKeyCEASEEBPKYMCDH-UHFFFAOYSA-N
XLogP3.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine (CID 53317961) is N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine is c1ccc(Nc2nc(-c3nn[nH]n3)cc3sccc23)cc1.
What is the InChIKey of N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is CEASEEBPKYMCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-2-4-9(5-3-1)15-13-10-6-7-21-12(10)8-11(16-13)14-17-19-20-18-14/h1-8H,(H,15,16)(H,17,18,19,20).
What are the key properties of N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine?
N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 53317961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).