N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C17H17FN4O2S — CID 127047931

IUPACN-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C17H17FN4O2S/c1-3-19-16(24)15-10(2)25-17-21-13(8-14(23)22(15)17)9-20-12-6-4-11(18)5-7-12/h4-8,20H,3,9H2,1-2H3,(H,19,24)
InChIKeyXERNGQWEFNQBQG-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 127047931) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID127047931
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C17H17FN4O2S/c1-3-19-16(24)15-10(2)25-17-21-13(8-14(23)22(15)17)9-20-12-6-4-11(18)5-7-12/h4-8,20H,3,9H2,1-2H3,(H,19,24)
InChIKeyXERNGQWEFNQBQG-UHFFFAOYSA-N
XLogP2.57
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
6-[[ethyl-(4-Fluorophenyl)amino]methyl]-2,3-Dihydro-1~{h}-Cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-One
CID 118017713
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-prop-1-en-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009185
7-((ethyl(4-fluorophenyl)amino)methyl)-3-(3-hydroxypropyl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 118009256
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009384
7-((ethyl(4-fluorophenyl)amino)methyl)-3-(2-hydroxyethyl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 118009417
7-[[ethyl(4-fluorophenyl)amino]methyl]-3-(hydroxymethyl)-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009526
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 118010095
7-[[ethyl(4-fluorophenyl)amino]methyl]-3-(2-hydroxypropan-2-yl)-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118010387

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 127047931) is N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is XERNGQWEFNQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-3-19-16(24)15-10(2)25-17-21-13(8-14(23)22(15)17)9-20-12-6-4-11(18)5-7-12/h4-8,20H,3,9H2,1-2H3,(H,19,24).
What are the key properties of N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127047931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).