(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H17N5S — CID 136736316

IUPAC(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCSc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H17N5S/c1-12-3-5-13(6-4-12)16-11-17(23-18(19-16)20-21-22-23)14-7-9-15(24-2)10-8-14/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyGVAZUDPDTWBDIL-KRWDZBQOSA-N
MW335.44 g/mol
LogP3.76
Rot. Bonds3

About (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736316) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736316
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCSc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H17N5S/c1-12-3-5-13(6-4-12)16-11-17(23-18(19-16)20-21-22-23)14-7-9-15(24-2)10-8-14/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyGVAZUDPDTWBDIL-KRWDZBQOSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
7-(4-ethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662198
(7S)-7-[4-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736643
(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736406
(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736455
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4586822
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3149402
7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4184169
7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4188889
4-[(7R)-5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 1327404
4-[5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2921747
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736316) is (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CSc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1.
What is the InChIKey of (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is GVAZUDPDTWBDIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12-3-5-13(6-4-12)16-11-17(23-18(19-16)20-21-22-23)14-7-9-15(24-2)10-8-14/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1.
What are the key properties of (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 335.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).