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

C9H7ClN2OS — CID 6456074

IUPAC2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(c2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)
InChIKeyTWJSQVWAFZYKCQ-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.97
Rot. Bonds1

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

2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one (PubChem CID 6456074) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
PubChem CID6456074
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(c2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)
InChIKeyTWJSQVWAFZYKCQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one (CID 6456074) is 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one is NC1=NC(=O)C(c2ccccc2Cl)S1.
What is the InChIKey of 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The InChIKey is TWJSQVWAFZYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13).
What are the key properties of 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one has a molecular weight of 226.69 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 6456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).