2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole

C10H12N2S2 — CID 130185334

IUPAC2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole
SMILESCc1cnc(CCc2csc(C)n2)s1
InChIInChI=1S/C10H12N2S2/c1-7-5-11-10(14-7)4-3-9-6-13-8(2)12-9/h5-6H,3-4H2,1-2H3
InChIKeyKHBOORYOVBLOKP-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole

2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole (PubChem CID 130185334) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole
PubChem CID130185334
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole
SMILESCc1cnc(CCc2csc(C)n2)s1
InChIInChI=1S/C10H12N2S2/c1-7-5-11-10(14-7)4-3-9-6-13-8(2)12-9/h5-6H,3-4H2,1-2H3
InChIKeyKHBOORYOVBLOKP-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole (CID 130185334) is 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole is Cc1cnc(CCc2csc(C)n2)s1.
What is the InChIKey of 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The InChIKey is KHBOORYOVBLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-5-11-10(14-7)4-3-9-6-13-8(2)12-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole has a molecular weight of 224.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 130185334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).