3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide

C11H10FN3OS — CID 110474816

IUPAC3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nccs1)c1ncccc1F
InChIInChI=1S/C11H10FN3OS/c12-8-2-1-4-14-10(8)11(16)15-5-3-9-13-6-7-17-9/h1-2,4,6-7H,3,5H2,(H,15,16)
InChIKeyMUGDHZWILYQPSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.65
Rot. Bonds4

About 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide

3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 110474816) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID110474816
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nccs1)c1ncccc1F
InChIInChI=1S/C11H10FN3OS/c12-8-2-1-4-14-10(8)11(16)15-5-3-9-13-6-7-17-9/h1-2,4,6-7H,3,5H2,(H,15,16)
InChIKeyMUGDHZWILYQPSD-UHFFFAOYSA-N
XLogP1.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (CID 110474816) is 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1nccs1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is MUGDHZWILYQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-2-1-4-14-10(8)11(16)15-5-3-9-13-6-7-17-9/h1-2,4,6-7H,3,5H2,(H,15,16).
What are the key properties of 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110474816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).