N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide

C26H24F2N8O4S2 — CID 21358572

IUPACN-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCN5CCNC5=O)nc4N)n3)c(F)cc2F)c1
InChIInChI=1S/C26H24F2N8O4S2/c1-40-14-4-2-3-13(9-14)22(37)32-18-10-15(16(27)11-17(18)28)19-12-41-23(33-19)20-21(29)34-25(42-20)35-24(38)30-5-7-36-8-6-31-26(36)39/h2-4,9-12H,5-8,29H2,1H3,(H,31,39)(H,32,37)(H2,30,34,35,38)
InChIKeyUSNSWLFGYVHMIW-UHFFFAOYSA-N
MW614.66 g/mol
LogP4.20
Rot. Bonds9

About N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide

N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide (PubChem CID 21358572) has the molecular formula C26H24F2N8O4S2 and a molecular weight of 614.66 g/mol. Its IUPAC name is N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
PubChem CID21358572
Molecular FormulaC26H24F2N8O4S2
Molecular Weight614.66 g/mol
Exact Mass614.13
IUPAC NameN-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCN5CCNC5=O)nc4N)n3)c(F)cc2F)c1
InChIInChI=1S/C26H24F2N8O4S2/c1-40-14-4-2-3-13(9-14)22(37)32-18-10-15(16(27)11-17(18)28)19-12-41-23(33-19)20-21(29)34-25(42-20)35-24(38)30-5-7-36-8-6-31-26(36)39/h2-4,9-12H,5-8,29H2,1H3,(H,31,39)(H,32,37)(H2,30,34,35,38)
InChIKeyUSNSWLFGYVHMIW-UHFFFAOYSA-N
XLogP4.20
TPSA163.60 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.66
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide (CID 21358572) is N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCN5CCNC5=O)nc4N)n3)c(F)cc2F)c1.
What is the InChIKey of N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide?
The InChIKey is USNSWLFGYVHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N8O4S2/c1-40-14-4-2-3-13(9-14)22(37)32-18-10-15(16(27)11-17(18)28)19-12-41-23(33-19)20-21(29)34-25(42-20)35-24(38)30-5-7-36-8-6-31-26(36)39/h2-4,9-12H,5-8,29H2,1H3,(H,31,39)(H,32,37)(H2,30,34,35,38).
What are the key properties of N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide?
N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide has a molecular weight of 614.66 g/mol, XLogP of 4.20, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-amino-2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide is sourced from PubChem (CID 21358572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).