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

C15H15N3OS — CID 19860539

IUPAC2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
SMILESCc1ncn(C)c1Cc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C15H15N3OS/c1-10-13(18(2)9-16-10)7-15-17-12(8-20-15)11-5-3-4-6-14(11)19/h3-6,8-9,19H,7H2,1-2H3
InChIKeySQMBZTCRRHLEQV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.15
Rot. Bonds3

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

2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol (PubChem CID 19860539) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
PubChem CID19860539
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
SMILESCc1ncn(C)c1Cc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C15H15N3OS/c1-10-13(18(2)9-16-10)7-15-17-12(8-20-15)11-5-3-4-6-14(11)19/h3-6,8-9,19H,7H2,1-2H3
InChIKeySQMBZTCRRHLEQV-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol (CID 19860539) is 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol is Cc1ncn(C)c1Cc1nc(-c2ccccc2O)cs1.
What is the InChIKey of 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is SQMBZTCRRHLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-13(18(2)9-16-10)7-15-17-12(8-20-15)11-5-3-4-6-14(11)19/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol?
2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 285.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 19860539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).