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

C11H11ClN2OS — CID 5127006

IUPAC2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one
SMILESCc1ccc(CC2SC(N)=NC2=O)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-2-3-7(4-8(6)12)5-9-10(15)14-11(13)16-9/h2-4,9H,5H2,1H3,(H2,13,14,15)
InChIKeyIFLFYYASUXWDDO-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.15
Rot. Bonds2

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

2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one (PubChem CID 5127006) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one
PubChem CID5127006
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one
SMILESCc1ccc(CC2SC(N)=NC2=O)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-2-3-7(4-8(6)12)5-9-10(15)14-11(13)16-9/h2-4,9H,5H2,1H3,(H2,13,14,15)
InChIKeyIFLFYYASUXWDDO-UHFFFAOYSA-N
XLogP2.15
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
5-(3-Chloro-4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 649174
2-Amino-5-[(3-methylphenyl)methyl]-1,3-thiazol-4-one;hydrochloride
CID 16192958
2-Amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one
CID 2872706
1-[(2E)-4-hydroxy-5-(4-methylbenzyl)-1,3-thiazol-2(5H)-ylidene]guanidine
CID 2938182
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-(4-Chlorobenzyl)-2-imino-1,3-thiazolidin-4-one
CID 2841533
5-[(2-Chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 2841534

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one (CID 5127006) is 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one is Cc1ccc(CC2SC(N)=NC2=O)cc1Cl.
What is the InChIKey of 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is IFLFYYASUXWDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-6-2-3-7(4-8(6)12)5-9-10(15)14-11(13)16-9/h2-4,9H,5H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 254.74 g/mol, XLogP of 2.15, 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-chloro-4-methylphenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 5127006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).