2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole

C13H16N2S2 — CID 75516779

IUPAC2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSCc2ncccc2C)cs1
InChIInChI=1S/C13H16N2S2/c1-3-13-15-11(8-17-13)7-16-9-12-10(2)5-4-6-14-12/h4-6,8H,3,7,9H2,1-2H3
InChIKeyWYXVBKSNBNCNDX-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.84
Rot. Bonds5

About 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole

2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole (PubChem CID 75516779) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole
PubChem CID75516779
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole
SMILESCCc1nc(CSCc2ncccc2C)cs1
InChIInChI=1S/C13H16N2S2/c1-3-13-15-11(8-17-13)7-16-9-12-10(2)5-4-6-14-12/h4-6,8H,3,7,9H2,1-2H3
InChIKeyWYXVBKSNBNCNDX-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole (CID 75516779) is 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole is CCc1nc(CSCc2ncccc2C)cs1.
What is the InChIKey of 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole?
The InChIKey is WYXVBKSNBNCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-3-13-15-11(8-17-13)7-16-9-12-10(2)5-4-6-14-12/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole?
2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole has a molecular weight of 264.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methyl-2-pyridinyl)methylsulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 75516779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).