2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole

C15H19N5S — CID 95209830

IUPAC2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCCCc1ncc(-c2nccn2[C@@H](C)c2nccs2)[nH]1
InChIInChI=1S/C15H19N5S/c1-3-4-5-13-18-10-12(19-13)14-16-6-8-20(14)11(2)15-17-7-9-21-15/h6-11H,3-5H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZJHCNZMTHZFBMI-NSHDSACASA-N
MW301.42 g/mol
LogP3.68
Rot. Bonds6

About 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole

2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 95209830) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID95209830
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCCCc1ncc(-c2nccn2[C@@H](C)c2nccs2)[nH]1
InChIInChI=1S/C15H19N5S/c1-3-4-5-13-18-10-12(19-13)14-16-6-8-20(14)11(2)15-17-7-9-21-15/h6-11H,3-5H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZJHCNZMTHZFBMI-NSHDSACASA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 95209830) is 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole is CCCCc1ncc(-c2nccn2[C@@H](C)c2nccs2)[nH]1.
What is the InChIKey of 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is ZJHCNZMTHZFBMI-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-4-5-13-18-10-12(19-13)14-16-6-8-20(14)11(2)15-17-7-9-21-15/h6-11H,3-5H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 301.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 95209830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).