5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole

C15H16N4OS — CID 71548378

IUPAC5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole
SMILESCCC(c1cnc(-c2ccc(OC)nc2)s1)n1ccnc1
InChIInChI=1S/C15H16N4OS/c1-3-12(19-7-6-16-10-19)13-9-18-15(21-13)11-4-5-14(20-2)17-8-11/h4-10,12H,3H2,1-2H3
InChIKeyPXZGFUTZRJVJGH-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.41
Rot. Bonds5

About 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole

5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole (PubChem CID 71548378) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole
PubChem CID71548378
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole
SMILESCCC(c1cnc(-c2ccc(OC)nc2)s1)n1ccnc1
InChIInChI=1S/C15H16N4OS/c1-3-12(19-7-6-16-10-19)13-9-18-15(21-13)11-4-5-14(20-2)17-8-11/h4-10,12H,3H2,1-2H3
InChIKeyPXZGFUTZRJVJGH-UHFFFAOYSA-N
XLogP3.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole (CID 71548378) is 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole is CCC(c1cnc(-c2ccc(OC)nc2)s1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole?
The InChIKey is PXZGFUTZRJVJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-12(19-7-6-16-10-19)13-9-18-15(21-13)11-4-5-14(20-2)17-8-11/h4-10,12H,3H2,1-2H3.
What are the key properties of 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole?
5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole has a molecular weight of 300.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylpropyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 71548378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).