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

C17H22N2O2S — CID 23612943

IUPACN-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(COc2cccc(C)c2)nc1C
InChIInChI=1S/C17H22N2O2S/c1-5-12(3)18-17(20)16-13(4)19-15(22-16)10-21-14-8-6-7-11(2)9-14/h6-9,12H,5,10H2,1-4H3,(H,18,20)
InChIKeyGKKOEKGWTABFSI-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.87
Rot. Bonds6

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

N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 23612943) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID23612943
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(COc2cccc(C)c2)nc1C
InChIInChI=1S/C17H22N2O2S/c1-5-12(3)18-17(20)16-13(4)19-15(22-16)10-21-14-8-6-7-11(2)9-14/h6-9,12H,5,10H2,1-4H3,(H,18,20)
InChIKeyGKKOEKGWTABFSI-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
ethyl 4-methyl-2-[[4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 46741125
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 23612943) is N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1sc(COc2cccc(C)c2)nc1C.
What is the InChIKey of N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GKKOEKGWTABFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-5-12(3)18-17(20)16-13(4)19-15(22-16)10-21-14-8-6-7-11(2)9-14/h6-9,12H,5,10H2,1-4H3,(H,18,20).
What are the key properties of N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23612943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).