5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H10ClN5S — CID 75634953

IUPAC5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2=Nc3nnnn3C(c3cccs3)C2)cc1
InChIInChI=1S/C14H10ClN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-7,12H,8H2
InChIKeyKZFPPFGAOWQWDZ-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.50
Rot. Bonds2

About 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75634953) has the molecular formula C14H10ClN5S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75634953
Molecular FormulaC14H10ClN5S
Molecular Weight315.79 g/mol
Exact Mass315.03
IUPAC Name5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2=Nc3nnnn3C(c3cccs3)C2)cc1
InChIInChI=1S/C14H10ClN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-7,12H,8H2
InChIKeyKZFPPFGAOWQWDZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75637505
5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91614710
(3S)-5-(4-chlorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 949479
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051
7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640847
7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75663939
1-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 18359788
7-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640097
5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640123

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75634953) is 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(C2=Nc3nnnn3C(c3cccs3)C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is KZFPPFGAOWQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-7,12H,8H2.
What are the key properties of 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 315.79 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75634953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).