2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one

C10H8Cl2N2OS — CID 2872891

IUPAC2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-2-1-5(3-7(6)12)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyQWNJBVJZSOGVBU-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.49
Rot. Bonds2

About 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2872891) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID2872891
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-2-1-5(3-7(6)12)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyQWNJBVJZSOGVBU-UHFFFAOYSA-N
XLogP2.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one (CID 2872891) is 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is QWNJBVJZSOGVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-6-2-1-5(3-7(6)12)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15).
What are the key properties of 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 275.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2872891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).