N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide

C18H18N4O2S — CID 110350649

IUPACN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCc2nc(CCNC(=O)c3ccncc3)cs2)cn1
InChIInChI=1S/C18H18N4O2S/c1-13-2-3-16(10-21-13)24-11-17-22-15(12-25-17)6-9-20-18(23)14-4-7-19-8-5-14/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,20,23)
InChIKeyFRIXGEHFZJADLC-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide

N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide (PubChem CID 110350649) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide
PubChem CID110350649
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccc(OCc2nc(CCNC(=O)c3ccncc3)cs2)cn1
InChIInChI=1S/C18H18N4O2S/c1-13-2-3-16(10-21-13)24-11-17-22-15(12-25-17)6-9-20-18(23)14-4-7-19-8-5-14/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,20,23)
InChIKeyFRIXGEHFZJADLC-UHFFFAOYSA-N
XLogP2.79
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 110341832
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110350705
4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110398339
N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341908
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 110341861
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 110313956
N-[2-(3-chlorophenyl)ethyl]-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342111
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide (CID 110350649) is N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide is Cc1ccc(OCc2nc(CCNC(=O)c3ccncc3)cs2)cn1.
What is the InChIKey of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is FRIXGEHFZJADLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-2-3-16(10-21-13)24-11-17-22-15(12-25-17)6-9-20-18(23)14-4-7-19-8-5-14/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,20,23).
What are the key properties of N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide?
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110350649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).