5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C12H13FN4OS — CID 104785736

IUPAC5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCNC(C)c1csc(NC(=O)c2cncc(F)c2)n1
InChIInChI=1S/C12H13FN4OS/c1-7(14-2)10-6-19-12(16-10)17-11(18)8-3-9(13)5-15-4-8/h3-7,14H,1-2H3,(H,16,17,18)
InChIKeyJUEVGSCSJCGKBT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.21
Rot. Bonds4

About 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 104785736) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID104785736
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCNC(C)c1csc(NC(=O)c2cncc(F)c2)n1
InChIInChI=1S/C12H13FN4OS/c1-7(14-2)10-6-19-12(16-10)17-11(18)8-3-9(13)5-15-4-8/h3-7,14H,1-2H3,(H,16,17,18)
InChIKeyJUEVGSCSJCGKBT-UHFFFAOYSA-N
XLogP2.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
2-ethyl-5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 66128265
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 104785736) is 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is CNC(C)c1csc(NC(=O)c2cncc(F)c2)n1.
What is the InChIKey of 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is JUEVGSCSJCGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c1-7(14-2)10-6-19-12(16-10)17-11(18)8-3-9(13)5-15-4-8/h3-7,14H,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 104785736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).