N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide

C20H22N2O3S — CID 46009384

IUPACN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccccc1OCc1nc(CN(C(=O)c2ccco2)C(C)C)cs1
InChIInChI=1S/C20H22N2O3S/c1-14(2)22(20(23)18-9-6-10-24-18)11-16-13-26-19(21-16)12-25-17-8-5-4-7-15(17)3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyQBUISXCCGBVRIS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.67
Rot. Bonds7

About N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide

N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 46009384) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID46009384
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccccc1OCc1nc(CN(C(=O)c2ccco2)C(C)C)cs1
InChIInChI=1S/C20H22N2O3S/c1-14(2)22(20(23)18-9-6-10-24-18)11-16-13-26-19(21-16)12-25-17-8-5-4-7-15(17)3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyQBUISXCCGBVRIS-UHFFFAOYSA-N
XLogP4.67
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 46013202
N-[(2R)-butan-2-yl]-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 93165184
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42836750
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008044
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 46008175
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165916
2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009300
N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008571

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (CID 46009384) is N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is Cc1ccccc1OCc1nc(CN(C(=O)c2ccco2)C(C)C)cs1.
What is the InChIKey of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is QBUISXCCGBVRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(2)22(20(23)18-9-6-10-24-18)11-16-13-26-19(21-16)12-25-17-8-5-4-7-15(17)3/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 46009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).