5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile

C12H6ClN3OS — CID 54753650

IUPAC5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile
SMILESN#Cc1c(N)oc2c(-c3cccc(Cl)c3)snc12
InChIInChI=1S/C12H6ClN3OS/c13-7-3-1-2-6(4-7)11-10-9(16-18-11)8(5-14)12(15)17-10/h1-4H,15H2
InChIKeyWZWNKALEWYITBF-UHFFFAOYSA-N
MW275.72 g/mol
LogP3.66
Rot. Bonds1

About 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile

5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile (PubChem CID 54753650) has the molecular formula C12H6ClN3OS and a molecular weight of 275.72 g/mol. Its IUPAC name is 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile
PubChem CID54753650
Molecular FormulaC12H6ClN3OS
Molecular Weight275.72 g/mol
Exact Mass274.99
IUPAC Name5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile
SMILESN#Cc1c(N)oc2c(-c3cccc(Cl)c3)snc12
InChIInChI=1S/C12H6ClN3OS/c13-7-3-1-2-6(4-7)11-10-9(16-18-11)8(5-14)12(15)17-10/h1-4H,15H2
InChIKeyWZWNKALEWYITBF-UHFFFAOYSA-N
XLogP3.66
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-(4-fluorophenyl)furo[3,2-C]isothiazol-6-YL cyanide
CID 96469330
5-Amino-3-(4-fluorophenyl)furo[3,2-C][1,2]selenazol-6-YL cyanide
CID 110194659
5-Amino-3-phenylfuro[3,2-c][1,2]selenazole-6-carbonitrile
CID 155810568
5-Amino-3-(3-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile
CID 91972692
5-Amino-3-phenylfuro[3,2-c][1,2]thiazole-6-carbonitrile
CID 101962609
5-Amino-3-(2-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile
CID 101962610
5-Amino-3-(4-methylphenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile
CID 101962611
5-Amino-3-(2-chlorophenyl)furo[3,2-C][1,2]selenazol-6-YL cyanide
CID 110194660

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile?
The IUPAC name of 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile (CID 54753650) is 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile?
The canonical SMILES for 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile is N#Cc1c(N)oc2c(-c3cccc(Cl)c3)snc12.
What is the InChIKey of 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile?
The InChIKey is WZWNKALEWYITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3OS/c13-7-3-1-2-6(4-7)11-10-9(16-18-11)8(5-14)12(15)17-10/h1-4H,15H2.
What are the key properties of 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile?
5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile has a molecular weight of 275.72 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chlorophenyl)furo[3,2-c][1,2]thiazole-6-carbonitrile is sourced from PubChem (CID 54753650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).