N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide

C20H16ClF2N3O2S — CID 20965694

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H16ClF2N3O2S/c1-11-17(29-20(25-11)12-2-4-13(21)5-3-12)8-9-24-18(27)19(28)26-16-10-14(22)6-7-15(16)23/h2-7,10H,8-9H2,1H3,(H,24,27)(H,26,28)
InChIKeyYQWRFWXAIQJYOF-UHFFFAOYSA-N
MW435.88 g/mol
LogP4.35
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide (PubChem CID 20965694) has the molecular formula C20H16ClF2N3O2S and a molecular weight of 435.88 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide
PubChem CID20965694
Molecular FormulaC20H16ClF2N3O2S
Molecular Weight435.88 g/mol
Exact Mass435.06
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H16ClF2N3O2S/c1-11-17(29-20(25-11)12-2-4-13(21)5-3-12)8-9-24-18(27)19(28)26-16-10-14(22)6-7-15(16)23/h2-7,10H,8-9H2,1H3,(H,24,27)(H,26,28)
InChIKeyYQWRFWXAIQJYOF-UHFFFAOYSA-N
XLogP4.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide (CID 20965694) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide is Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide?
The InChIKey is YQWRFWXAIQJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O2S/c1-11-17(29-20(25-11)12-2-4-13(21)5-3-12)8-9-24-18(27)19(28)26-16-10-14(22)6-7-15(16)23/h2-7,10H,8-9H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide has a molecular weight of 435.88 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(2,5-difluorophenyl)oxamide is sourced from PubChem (CID 20965694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).