N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C16H13F2N3O3S — CID 18089737

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C16H13F2N3O3S/c17-9-1-2-11(18)10(7-9)12-8-25-16(19-12)20-13(22)5-6-21-14(23)3-4-15(21)24/h1-2,7-8H,3-6H2,(H,19,20,22)
InChIKeyMPSCGAAVBNVNSL-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 18089737) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID18089737
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C16H13F2N3O3S/c17-9-1-2-11(18)10(7-9)12-8-25-16(19-12)20-13(22)5-6-21-14(23)3-4-15(21)24/h1-2,7-8H,3-6H2,(H,19,20,22)
InChIKeyMPSCGAAVBNVNSL-UHFFFAOYSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26207748
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 18089660
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042841
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24594716
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55754668
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2359661

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 18089737) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is MPSCGAAVBNVNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c17-9-1-2-11(18)10(7-9)12-8-25-16(19-12)20-13(22)5-6-21-14(23)3-4-15(21)24/h1-2,7-8H,3-6H2,(H,19,20,22).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 365.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 18089737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).