2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol

C10H7Cl2NOS — CID 107663379

IUPAC2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol
SMILESOc1cc(Cl)c(Cc2nccs2)cc1Cl
InChIInChI=1S/C10H7Cl2NOS/c11-7-5-9(14)8(12)3-6(7)4-10-13-1-2-15-10/h1-3,5,14H,4H2
InChIKeyFJPPTQVUCPWWLH-UHFFFAOYSA-N
MW260.14 g/mol
LogP3.75
Rot. Bonds2

About 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol

2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol (PubChem CID 107663379) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.14 g/mol. Its IUPAC name is 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol
PubChem CID107663379
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.14 g/mol
Exact Mass258.96
IUPAC Name2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol
SMILESOc1cc(Cl)c(Cc2nccs2)cc1Cl
InChIInChI=1S/C10H7Cl2NOS/c11-7-5-9(14)8(12)3-6(7)4-10-13-1-2-15-10/h1-3,5,14H,4H2
InChIKeyFJPPTQVUCPWWLH-UHFFFAOYSA-N
XLogP3.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol?
The IUPAC name of 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol (CID 107663379) is 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol is Oc1cc(Cl)c(Cc2nccs2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol?
The InChIKey is FJPPTQVUCPWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c11-7-5-9(14)8(12)3-6(7)4-10-13-1-2-15-10/h1-3,5,14H,4H2.
What are the key properties of 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol?
2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol has a molecular weight of 260.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol is sourced from PubChem (CID 107663379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).