4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C17H21N3O3S — CID 110341749

IUPAC4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCC3CCCO3)s2)cn1
InChIInChI=1S/C17H21N3O3S/c1-11-5-6-14(8-18-11)23-10-15-20-12(2)16(24-15)17(21)19-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyDFQCZAKMDALIDN-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.64
Rot. Bonds6

About 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110341749) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110341749
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCC3CCCO3)s2)cn1
InChIInChI=1S/C17H21N3O3S/c1-11-5-6-14(8-18-11)23-10-15-20-12(2)16(24-15)17(21)19-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyDFQCZAKMDALIDN-UHFFFAOYSA-N
XLogP2.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 112808780
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 110341792
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154389
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
N-[4-(dimethylamino)phenyl]-4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole-5-carboxamide
CID 110341826
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9154388
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200041
2-[(4-fluorophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 36701839

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110341749) is 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)NCC3CCCO3)s2)cn1.
What is the InChIKey of 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DFQCZAKMDALIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-5-6-14(8-18-11)23-10-15-20-12(2)16(24-15)17(21)19-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110341749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).