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

C10H8Cl2N2OS — CID 2872706

IUPAC2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyDDKQMPMXVYYPTD-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.49
Rot. Bonds2

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

2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2872706) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID2872706
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2cc(Cl)ccc2Cl)S1
InChIInChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)4-8-9(15)14-10(13)16-8/h1-3,8H,4H2,(H2,13,14,15)
InChIKeyDDKQMPMXVYYPTD-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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Related Compounds

2-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 825146
N-[2-(2,5-Dichloro-phenyl)-cyclopropanecarbonyl]-guanidine
CID 11731793
5-[(m-Chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 137319899
5-[(3-Chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 2850903
5-(2,3-Dichlorobenzyl)-2-imino-1,3-thiazolidin-4-one
CID 2873271
2-Amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
CID 6456074
1-[(2E)-5-(2-chlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 3748795
2-[5-(2-Chlorobenzyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]guanidine
CID 146674398
5-[(2,5-Dichlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 137319923
5-(4-Chlorobenzyl)-2-imino-1,3-thiazolidin-4-one
CID 2841533
5-[(2-Chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 2841534
2-[5-[[2-Chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
CID 18830443

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one (CID 2872706) is 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2cc(Cl)ccc2Cl)S1.
What is the InChIKey of 2-amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is DDKQMPMXVYYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-6-1-2-7(12)5(3-6)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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(2,5-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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2872706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).