2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium

C18H18N5S+ — CID 68574052

IUPAC2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium
SMILESCc1[nH+]c(N2NC(c3ccccc3)=NN2c2ccccc2)sc1C
InChIInChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21)/p+1
InChIKeyASJSXUWOFZATJM-UHFFFAOYSA-O
MW336.44 g/mol
LogP3.29
Rot. Bonds3

About 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium

2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium (PubChem CID 68574052) has the molecular formula C18H18N5S+ and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium
PubChem CID68574052
Molecular FormulaC18H18N5S+
Molecular Weight336.44 g/mol
Exact Mass336.13
IUPAC Name2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium
SMILESCc1[nH+]c(N2NC(c3ccccc3)=NN2c2ccccc2)sc1C
InChIInChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21)/p+1
InChIKeyASJSXUWOFZATJM-UHFFFAOYSA-O
XLogP3.29
TPSA45.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium?
The IUPAC name of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium (CID 68574052) is 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium.
What is the SMILES notation for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium?
The canonical SMILES for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium is Cc1[nH+]c(N2NC(c3ccccc3)=NN2c2ccccc2)sc1C.
What is the InChIKey of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium?
The InChIKey is ASJSXUWOFZATJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21)/p+1.
What are the key properties of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium?
2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium has a molecular weight of 336.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-4,5-dimethyl-1,3-thiazol-3-ium is sourced from PubChem (CID 68574052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).