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

C17H16N6S — CID 54671014

IUPAC4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2cncn2C)nn1
InChIInChI=1S/C17H16N6S/c1-12-17(24-11-19-12)16(13-6-4-3-5-7-13)23-9-14(20-21-23)15-8-18-10-22(15)2/h3-11,16H,1-2H3
InChIKeyFLUWFPLBUYLLKH-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.08
Rot. Bonds4

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

4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole (PubChem CID 54671014) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole
PubChem CID54671014
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2cncn2C)nn1
InChIInChI=1S/C17H16N6S/c1-12-17(24-11-19-12)16(13-6-4-3-5-7-13)23-9-14(20-21-23)15-8-18-10-22(15)2/h3-11,16H,1-2H3
InChIKeyFLUWFPLBUYLLKH-UHFFFAOYSA-N
XLogP3.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole (CID 54671014) is 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1cc(-c2cncn2C)nn1.
What is the InChIKey of 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole?
The InChIKey is FLUWFPLBUYLLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-12-17(24-11-19-12)16(13-6-4-3-5-7-13)23-9-14(20-21-23)15-8-18-10-22(15)2/h3-11,16H,1-2H3.
What are the key properties of 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole?
4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole has a molecular weight of 336.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-(3-methylimidazol-4-yl)triazol-1-yl]-phenylmethyl]-1,3-thiazole is sourced from PubChem (CID 54671014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).