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

C12H12ClN3O2S — CID 108524105

IUPACN-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C12H12ClN3O2S/c1-7-6-8(13)2-3-9(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)
InChIKeyVTVWWRDQNRZKAC-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.81
Rot. Bonds1

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

N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (PubChem CID 108524105) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
PubChem CID108524105
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C12H12ClN3O2S/c1-7-6-8(13)2-3-9(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)
InChIKeyVTVWWRDQNRZKAC-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-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108511829
N-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 14033151
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108530808
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108530798
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (CID 108524105) is N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC1=NCCS1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The InChIKey is VTVWWRDQNRZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7-6-8(13)2-3-9(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-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
N-(4-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-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).