5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one

C9H7ClN2OS — CID 131008454

IUPAC5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1SC(c2ccccc2Cl)=NC1=O
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)9-12-8(13)7(11)14-9/h1-4,7H,11H2
InChIKeyMRWLWMKMCUMSIH-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.64
Rot. Bonds1

About 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one

5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one (PubChem CID 131008454) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one
PubChem CID131008454
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1SC(c2ccccc2Cl)=NC1=O
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)9-12-8(13)7(11)14-9/h1-4,7H,11H2
InChIKeyMRWLWMKMCUMSIH-UHFFFAOYSA-N
XLogP1.64
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-
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2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-one
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2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
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2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
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2-Phenyl-aminothiazolin-4-one
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2-(2-Chloro-4-fluorophenyl)-1,3-thiazol-4-one
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5-Amino-2-(2,3-dichlorophenyl)-1,3-thiazol-4-one
CID 68553719
5-Amino-2-(2,3,4-trichlorophenyl)-1,3-thiazol-4-one
CID 69259154
2-(4-Chlorophenyl)-4(5H)-thiazolone
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2-(2-Chlorophenyl)-1,3-thiazin-4-one
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2-Amino-3-[(2-chlorophenyl)methylsulfanyl]propanamide
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CID 130501217

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one (CID 131008454) is 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one is NC1SC(c2ccccc2Cl)=NC1=O.
What is the InChIKey of 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one?
The InChIKey is MRWLWMKMCUMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)9-12-8(13)7(11)14-9/h1-4,7H,11H2.
What are the key properties of 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one?
5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one has a molecular weight of 226.69 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chlorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 131008454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).