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

C12H12FN3OS — CID 115646115

IUPAC3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccncc2F)n1
InChIInChI=1S/C12H12FN3OS/c1-7-6-18-12(15-7)8(2)16-11(17)9-3-4-14-5-10(9)13/h3-6,8H,1-2H3,(H,16,17)
InChIKeyAEFWLBDHRJOTNX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.48
Rot. Bonds3

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

3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 115646115) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID115646115
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2ccncc2F)n1
InChIInChI=1S/C12H12FN3OS/c1-7-6-18-12(15-7)8(2)16-11(17)9-3-4-14-5-10(9)13/h3-6,8H,1-2H3,(H,16,17)
InChIKeyAEFWLBDHRJOTNX-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
CID 119032821
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923776
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 115646115) is 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is Cc1csc(C(C)NC(=O)c2ccncc2F)n1.
What is the InChIKey of 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is AEFWLBDHRJOTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7-6-18-12(15-7)8(2)16-11(17)9-3-4-14-5-10(9)13/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 115646115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).