2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

C17H20F2N6O2S — CID 66661608

IUPAC2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CC3(F)F)C2=O)sc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C17H20F2N6O2S/c1-10-13(14(26)20-8-12-3-4-23(2)22-12)28-15(21-10)25-6-5-24(16(25)27)9-11-7-17(11,18)19/h3-4,11H,5-9H2,1-2H3,(H,20,26)
InChIKeyYSPUFQDKXMAQIW-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.01
Rot. Bonds6

About 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 66661608) has the molecular formula C17H20F2N6O2S and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID66661608
Molecular FormulaC17H20F2N6O2S
Molecular Weight410.45 g/mol
Exact Mass410.13
IUPAC Name2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CC3(F)F)C2=O)sc1C(=O)NCc1ccn(C)n1
InChIInChI=1S/C17H20F2N6O2S/c1-10-13(14(26)20-8-12-3-4-23(2)22-12)28-15(21-10)25-6-5-24(16(25)27)9-11-7-17(11,18)19/h3-4,11H,5-9H2,1-2H3,(H,20,26)
InChIKeyYSPUFQDKXMAQIW-UHFFFAOYSA-N
XLogP2.01
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 66661608) is 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(CC3CC3(F)F)C2=O)sc1C(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YSPUFQDKXMAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O2S/c1-10-13(14(26)20-8-12-3-4-23(2)22-12)28-15(21-10)25-6-5-24(16(25)27)9-11-7-17(11,18)19/h3-4,11H,5-9H2,1-2H3,(H,20,26).
What are the key properties of 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-difluorocyclopropyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66661608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).