N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

C12H12ClN3O2S — CID 108511829

IUPACN-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C12H12ClN3O2S/c1-7-2-3-8(13)6-9(7)15-10(17)11(18)16-12-14-4-5-19-12/h2-3,6H,4-5H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyLEPQOJPJMHXYHB-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.81
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (PubChem CID 108511829) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
PubChem CID108511829
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C12H12ClN3O2S/c1-7-2-3-8(13)6-9(7)15-10(17)11(18)16-12-14-4-5-19-12/h2-3,6H,4-5H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyLEPQOJPJMHXYHB-UHFFFAOYSA-N
XLogP1.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108530808
N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 14033151
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530774
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108530798
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108511819
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (CID 108511829) is N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NC1=NCCS1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The InChIKey is LEPQOJPJMHXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7-2-3-8(13)6-9(7)15-10(17)11(18)16-12-14-4-5-19-12/h2-3,6H,4-5H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide has a molecular weight of 297.77 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108511829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).