2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole

C15H23N3S — CID 10636280

IUPAC2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCCCc1nc(Cc2cnc[nH]2)c(CCCC)s1
InChIInChI=1S/C15H23N3S/c1-3-5-7-14-13(9-12-10-16-11-17-12)18-15(19-14)8-6-4-2/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyBIWVCWOYRWERAP-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.14
Rot. Bonds8

About 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole

2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 10636280) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID10636280
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCCCc1nc(Cc2cnc[nH]2)c(CCCC)s1
InChIInChI=1S/C15H23N3S/c1-3-5-7-14-13(9-12-10-16-11-17-12)18-15(19-14)8-6-4-2/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyBIWVCWOYRWERAP-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-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 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 10636280) is 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole is CCCCc1nc(Cc2cnc[nH]2)c(CCCC)s1.
What is the InChIKey of 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is BIWVCWOYRWERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-5-7-14-13(9-12-10-16-11-17-12)18-15(19-14)8-6-4-2/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 277.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 10636280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).