4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide

C11H6ClN3O2S — CID 133425252

IUPAC4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
SMILESN#Cc1c(Cl)nsc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H6ClN3O2S/c12-9-8(5-13)11(18-15-9)17-7-3-1-6(2-4-7)10(14)16/h1-4H,(H2,14,16)
InChIKeyNIEIAKOHCTUQPN-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.56
Rot. Bonds3

About 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide

4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide (PubChem CID 133425252) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
PubChem CID133425252
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC Name4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
SMILESN#Cc1c(Cl)nsc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H6ClN3O2S/c12-9-8(5-13)11(18-15-9)17-7-3-1-6(2-4-7)10(14)16/h1-4H,(H2,14,16)
InChIKeyNIEIAKOHCTUQPN-UHFFFAOYSA-N
XLogP2.56
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide
CID 133424446
3-chloro-4-cyano-1,2-thiazole-5-carboxamide
CID 54212733
N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide
CID 133425195
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[(6-cyano-3-pyridinyl)oxy]benzamide
CID 115487898
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
4-(2-cyanophenoxy)benzamide
CID 28825078
4-(3-cyanopyrazin-2-yl)oxybenzamide
CID 62683866
2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80692779
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide?
The IUPAC name of 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide (CID 133425252) is 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide.
What is the SMILES notation for 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide?
The canonical SMILES for 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide is N#Cc1c(Cl)nsc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide?
The InChIKey is NIEIAKOHCTUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-9-8(5-13)11(18-15-9)17-7-3-1-6(2-4-7)10(14)16/h1-4H,(H2,14,16).
What are the key properties of 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide?
4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide has a molecular weight of 279.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide is sourced from PubChem (CID 133425252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).