4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

C18H15N5S2 — CID 2095542

IUPAC4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15N5S2/c1-13-7-5-6-10-16(13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyYCGGNMSHHPSMQZ-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.39
Rot. Bonds5

About 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2095542) has the molecular formula C18H15N5S2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2095542
Molecular FormulaC18H15N5S2
Molecular Weight365.49 g/mol
Exact Mass365.08
IUPAC Name4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15N5S2/c1-13-7-5-6-10-16(13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyYCGGNMSHHPSMQZ-UHFFFAOYSA-N
XLogP4.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2095542) is 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is Cc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is YCGGNMSHHPSMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S2/c1-13-7-5-6-10-16(13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3.
What are the key properties of 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 365.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2095542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).