2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

C11H16FN3O2S — CID 88908561

IUPAC2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCCc1nc2c(s1)CCN(C(=O)N(C)OC)C2F
InChIInChI=1S/C11H16FN3O2S/c1-4-8-13-9-7(18-8)5-6-15(10(9)12)11(16)14(2)17-3/h10H,4-6H2,1-3H3
InChIKeyBUKFWOLIICKRAP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.14
Rot. Bonds2

About 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 88908561) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
PubChem CID88908561
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCCc1nc2c(s1)CCN(C(=O)N(C)OC)C2F
InChIInChI=1S/C11H16FN3O2S/c1-4-8-13-9-7(18-8)5-6-15(10(9)12)11(16)14(2)17-3/h10H,4-6H2,1-3H3
InChIKeyBUKFWOLIICKRAP-UHFFFAOYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-diethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511874
tert-butyl 2-(3-aminopropyl)-4-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
CID 58101307
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098360
2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
CID 59463861
N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-[(2R)-2-methylbutyl]benzamide
CID 93169872
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenoxypropan-1-one
CID 86909696
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (CID 88908561) is 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is CCc1nc2c(s1)CCN(C(=O)N(C)OC)C2F.
What is the InChIKey of 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is BUKFWOLIICKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-4-8-13-9-7(18-8)5-6-15(10(9)12)11(16)14(2)17-3/h10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 88908561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).