2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

C18H20FN3O2S — CID 108749742

IUPAC2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCC(C)CC(=O)N1CCc2nc(NC(=O)c3ccccc3F)sc2C1
InChIInChI=1S/C18H20FN3O2S/c1-11(2)9-16(23)22-8-7-14-15(10-22)25-18(20-14)21-17(24)12-5-3-4-6-13(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,21,24)
InChIKeyKYXLMHGSTIEZHO-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.47
Rot. Bonds4

About 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 108749742) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID108749742
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCC(C)CC(=O)N1CCc2nc(NC(=O)c3ccccc3F)sc2C1
InChIInChI=1S/C18H20FN3O2S/c1-11(2)9-16(23)22-8-7-14-15(10-22)25-18(20-14)21-17(24)12-5-3-4-6-13(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,21,24)
InChIKeyKYXLMHGSTIEZHO-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108725651
2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749780
N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 108749730
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524
[3-[[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoyl]phenyl] acetate
CID 108749731
2-methoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108725629
3,4,5-trimethoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749741
2-tert-butyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108749773
2-(4-chlorophenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 108749832
1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
CID 108771499
(E)-3-(4-methoxyphenyl)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylprop-2-enamide
CID 108749807
N-[5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531115

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 108749742) is 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is CC(C)CC(=O)N1CCc2nc(NC(=O)c3ccccc3F)sc2C1.
What is the InChIKey of 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is KYXLMHGSTIEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-11(2)9-16(23)22-8-7-14-15(10-22)25-18(20-14)21-17(24)12-5-3-4-6-13(12)19/h3-6,11H,7-10H2,1-2H3,(H,20,21,24).
What are the key properties of 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 108749742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).