4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide

C18H22N2O3S — CID 40840716

IUPAC4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC[C@H]3CCCO3)s2)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-3-6-14(9-12)23-11-16-20-13(2)17(24-16)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyUWGODGFYSXZPFE-OAHLLOKOSA-N
MW346.45 g/mol
LogP3.25
Rot. Bonds6

About 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 40840716) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID40840716
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC[C@H]3CCCO3)s2)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-3-6-14(9-12)23-11-16-20-13(2)17(24-16)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyUWGODGFYSXZPFE-OAHLLOKOSA-N
XLogP3.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110341749
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200041
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 112808780
2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712618
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 40840716) is 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1cccc(OCc2nc(C)c(C(=O)NC[C@H]3CCCO3)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UWGODGFYSXZPFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-5-3-6-14(9-12)23-11-16-20-13(2)17(24-16)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 40840716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).