3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C10H9FN2O2S2 — CID 136545116

IUPAC3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOCc1cnc(NC(=O)c2sccc2F)s1
InChIInChI=1S/C10H9FN2O2S2/c1-15-5-6-4-12-10(17-6)13-9(14)8-7(11)2-3-16-8/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyPDQBSBKDWTXNKK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.74
Rot. Bonds4

About 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 136545116) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID136545116
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOCc1cnc(NC(=O)c2sccc2F)s1
InChIInChI=1S/C10H9FN2O2S2/c1-15-5-6-4-12-10(17-6)13-9(14)8-7(11)2-3-16-8/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyPDQBSBKDWTXNKK-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(methoxymethyl)-1,3-thiazol-2-yl]-3-methylurea
CID 130645718
3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 56531821
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 18229704
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 39173185
(2S,3R)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-1-methyl-2-phenylpyrrolidine-3-carboxamide
CID 127266159
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 81118341
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 130576160
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 142495562
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 136545116) is 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is COCc1cnc(NC(=O)c2sccc2F)s1.
What is the InChIKey of 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is PDQBSBKDWTXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c1-15-5-6-4-12-10(17-6)13-9(14)8-7(11)2-3-16-8/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 136545116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).