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

C16H19N5S2 — CID 56880550

IUPAC4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCCSc1ncc(-c2nccn2CCc2scnc2C)cn1
InChIInChI=1S/C16H19N5S2/c1-3-8-22-16-18-9-13(10-19-16)15-17-5-7-21(15)6-4-14-12(2)20-11-23-14/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyCSSGSRICUFENBV-UHFFFAOYSA-N
MW345.50 g/mol
LogP3.85
Rot. Bonds7

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

4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 56880550) has the molecular formula C16H19N5S2 and a molecular weight of 345.50 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID56880550
Molecular FormulaC16H19N5S2
Molecular Weight345.50 g/mol
Exact Mass345.11
IUPAC Name4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCCSc1ncc(-c2nccn2CCc2scnc2C)cn1
InChIInChI=1S/C16H19N5S2/c1-3-8-22-16-18-9-13(10-19-16)15-17-5-7-21(15)6-4-14-12(2)20-11-23-14/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyCSSGSRICUFENBV-UHFFFAOYSA-N
XLogP3.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 56880550) is 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole is CCCSc1ncc(-c2nccn2CCc2scnc2C)cn1.
What is the InChIKey of 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is CSSGSRICUFENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S2/c1-3-8-22-16-18-9-13(10-19-16)15-17-5-7-21(15)6-4-14-12(2)20-11-23-14/h5,7,9-11H,3-4,6,8H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 345.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 56880550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).