N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide

C12H11ClN2O2S — CID 1484583

IUPACN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-8(16)15-9-2-4-10(5-3-9)17-7-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyOLHYVCWBLVSYGF-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.33
Rot. Bonds4

About N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide

N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide (PubChem CID 1484583) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide
PubChem CID1484583
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-8(16)15-9-2-4-10(5-3-9)17-7-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyOLHYVCWBLVSYGF-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide (CID 1484583) is N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide?
The InChIKey is OLHYVCWBLVSYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8(16)15-9-2-4-10(5-3-9)17-7-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide?
N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide has a molecular weight of 282.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 1484583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).