N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide

C17H14FN3O2S — CID 38274329

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)cn1
InChIInChI=1S/C17H14FN3O2S/c1-23-15-7-6-12(10-19-15)16(22)20-17-21(8-9-24-17)11-13-4-2-3-5-14(13)18/h2-10H,11H2,1H3/b20-17-
InChIKeyURRWQNDCRJJKHF-JZJYNLBNSA-N
MW343.38 g/mol
LogP2.88
Rot. Bonds4

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide (PubChem CID 38274329) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide
PubChem CID38274329
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)cn1
InChIInChI=1S/C17H14FN3O2S/c1-23-15-7-6-12(10-19-15)16(22)20-17-21(8-9-24-17)11-13-4-2-3-5-14(13)18/h2-10H,11H2,1H3/b20-17-
InChIKeyURRWQNDCRJJKHF-JZJYNLBNSA-N
XLogP2.88
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide (CID 38274329) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)cn1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide?
The InChIKey is URRWQNDCRJJKHF-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-15-7-6-12(10-19-15)16(22)20-17-21(8-9-24-17)11-13-4-2-3-5-14(13)18/h2-10H,11H2,1H3/b20-17-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 38274329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).