N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H12F2N6O2S2 — CID 24626205

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3sccc3c2=O)sc1-c1nccn1C(F)F
InChIInChI=1S/C16H12F2N6O2S2/c1-8-11(12-19-3-4-24(12)15(17)18)28-16(21-8)22-10(25)6-23-7-20-13-9(14(23)26)2-5-27-13/h2-5,7,15H,6H2,1H3,(H,21,22,25)
InChIKeyGVONBCJBWDUKSA-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.12
Rot. Bonds5

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24626205) has the molecular formula C16H12F2N6O2S2 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24626205
Molecular FormulaC16H12F2N6O2S2
Molecular Weight422.44 g/mol
Exact Mass422.04
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3sccc3c2=O)sc1-c1nccn1C(F)F
InChIInChI=1S/C16H12F2N6O2S2/c1-8-11(12-19-3-4-24(12)15(17)18)28-16(21-8)22-10(25)6-23-7-20-13-9(14(23)26)2-5-27-13/h2-5,7,15H,6H2,1H3,(H,21,22,25)
InChIKeyGVONBCJBWDUKSA-UHFFFAOYSA-N
XLogP3.12
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30593557
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24626303
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593241
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24626319
2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43063918
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51286491
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9116676
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24626205) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1nc(NC(=O)Cn2cnc3sccc3c2=O)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is GVONBCJBWDUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2S2/c1-8-11(12-19-3-4-24(12)15(17)18)28-16(21-8)22-10(25)6-23-7-20-13-9(14(23)26)2-5-27-13/h2-5,7,15H,6H2,1H3,(H,21,22,25).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 422.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24626205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).