5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole

C20H18N4S — CID 54670830

IUPAC5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(Cc2ccccc2)nn1
InChIInChI=1S/C20H18N4S/c1-15-20(25-14-21-15)19(17-10-6-3-7-11-17)24-13-18(22-23-24)12-16-8-4-2-5-9-16/h2-11,13-14,19H,12H2,1H3
InChIKeyFOXGURPRYVUYSE-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.27
Rot. Bonds5

About 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole

5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole (PubChem CID 54670830) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole
PubChem CID54670830
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(Cc2ccccc2)nn1
InChIInChI=1S/C20H18N4S/c1-15-20(25-14-21-15)19(17-10-6-3-7-11-17)24-13-18(22-23-24)12-16-8-4-2-5-9-16/h2-11,13-14,19H,12H2,1H3
InChIKeyFOXGURPRYVUYSE-UHFFFAOYSA-N
XLogP4.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole (CID 54670830) is 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1cc(Cc2ccccc2)nn1.
What is the InChIKey of 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole?
The InChIKey is FOXGURPRYVUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-15-20(25-14-21-15)19(17-10-6-3-7-11-17)24-13-18(22-23-24)12-16-8-4-2-5-9-16/h2-11,13-14,19H,12H2,1H3.
What are the key properties of 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole?
5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole has a molecular weight of 346.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 54670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).