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

C16H19FN2O3S — CID 24639532

IUPAC2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C16H19FN2O3S/c1-10(8-21-3)18-16(20)15-11(2)19-14(23-15)9-22-13-6-4-12(17)5-7-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyUSPAOAYXGCQHHN-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.93
Rot. Bonds7

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

2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24639532) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24639532
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C16H19FN2O3S/c1-10(8-21-3)18-16(20)15-11(2)19-14(23-15)9-22-13-6-4-12(17)5-7-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyUSPAOAYXGCQHHN-UHFFFAOYSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119368687
N-(1-amino-4-methylpentan-2-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119585509
2-(4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30142552
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119568744
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 18148839
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
2-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methoxybutanoic acid
CID 120703125
(4-methoxycarbonylphenyl) 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616472
N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 112818930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24639532) is 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is COCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is USPAOAYXGCQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-10(8-21-3)18-16(20)15-11(2)19-14(23-15)9-22-13-6-4-12(17)5-7-13/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24639532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).