2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol

C14H13N3OS — CID 14742530

IUPAC2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C14H13N3OS/c1-9-11(16-8-15-9)6-14-17-12(7-19-14)10-4-2-3-5-13(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16)
InChIKeyAOWLUAVXKPFUQL-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.14
Rot. Bonds3

About 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol

2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol (PubChem CID 14742530) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
PubChem CID14742530
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C14H13N3OS/c1-9-11(16-8-15-9)6-14-17-12(7-19-14)10-4-2-3-5-13(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16)
InChIKeyAOWLUAVXKPFUQL-UHFFFAOYSA-N
XLogP3.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol (CID 14742530) is 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol is Cc1[nH]cnc1Cc1nc(-c2ccccc2O)cs1.
What is the InChIKey of 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is AOWLUAVXKPFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-11(16-8-15-9)6-14-17-12(7-19-14)10-4-2-3-5-13(10)18/h2-5,7-8,18H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 271.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 14742530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).