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

C15H15N3S — CID 10778402

IUPAC5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole
SMILESCCc1sc(-c2ccccc2)nc1Cc1cnc[nH]1
InChIInChI=1S/C15H15N3S/c1-2-14-13(8-12-9-16-10-17-12)18-15(19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,16,17)
InChIKeyBBRFDAZNIMUCNU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.69
Rot. Bonds4

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

5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole (PubChem CID 10778402) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole
PubChem CID10778402
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole
SMILESCCc1sc(-c2ccccc2)nc1Cc1cnc[nH]1
InChIInChI=1S/C15H15N3S/c1-2-14-13(8-12-9-16-10-17-12)18-15(19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,16,17)
InChIKeyBBRFDAZNIMUCNU-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole (CID 10778402) is 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole is CCc1sc(-c2ccccc2)nc1Cc1cnc[nH]1.
What is the InChIKey of 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole?
The InChIKey is BBRFDAZNIMUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-14-13(8-12-9-16-10-17-12)18-15(19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole?
5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole has a molecular weight of 269.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 10778402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).