4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine

C13H7ClN6S — CID 9252063

IUPAC4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine
SMILESClc1cccc(-c2nnn(-c3ncnc4sccc34)n2)c1
InChIInChI=1S/C13H7ClN6S/c14-9-3-1-2-8(6-9)11-17-19-20(18-11)12-10-4-5-21-13(10)16-7-15-12/h1-7H
InChIKeyPTRDODJNROGLKG-UHFFFAOYSA-N
MW314.76 g/mol
LogP2.99
Rot. Bonds2

About 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine

4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine (PubChem CID 9252063) has the molecular formula C13H7ClN6S and a molecular weight of 314.76 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine
PubChem CID9252063
Molecular FormulaC13H7ClN6S
Molecular Weight314.76 g/mol
Exact Mass314.01
IUPAC Name4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine
SMILESClc1cccc(-c2nnn(-c3ncnc4sccc34)n2)c1
InChIInChI=1S/C13H7ClN6S/c14-9-3-1-2-8(6-9)11-17-19-20(18-11)12-10-4-5-21-13(10)16-7-15-12/h1-7H
InChIKeyPTRDODJNROGLKG-UHFFFAOYSA-N
XLogP2.99
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 360857
9-Phenyltetrazolo[1,5-c]thieno[3,2-e]pyrimidine
CID 693917
N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2808613
1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-amine
CID 829543
4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylthieno[2,3-d]pyrimidine
CID 2112599
5-(4-chlorophenyl)-4-((1-phenyl-1H-tetrazol-5-yl)thio)thieno[2,3-d]pyrimidine
CID 2239582
5-(4-Chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
CID 9266740
5-(2-Chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
CID 44142137
5-(3-Chlorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 44825272
4-Chloro-6-phenylthieno(2,3-d)pyrimidine
CID 708736

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine (CID 9252063) is 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine is Clc1cccc(-c2nnn(-c3ncnc4sccc34)n2)c1.
What is the InChIKey of 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine?
The InChIKey is PTRDODJNROGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6S/c14-9-3-1-2-8(6-9)11-17-19-20(18-11)12-10-4-5-21-13(10)16-7-15-12/h1-7H.
What are the key properties of 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine?
4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine has a molecular weight of 314.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)tetrazol-2-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9252063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).