5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole

C14H11NS2 — CID 2446133

IUPAC5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3
InChIKeyGJCUAOPBECGQBG-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.85
Rot. Bonds2

About 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole

5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2446133) has the molecular formula C14H11NS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID2446133
Molecular FormulaC14H11NS2
Molecular Weight257.38 g/mol
Exact Mass257.03
IUPAC Name5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3
InChIKeyGJCUAOPBECGQBG-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole (CID 2446133) is 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole is Cc1sc(-c2cccs2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is GJCUAOPBECGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3.
What are the key properties of 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 257.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2446133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).