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

C19H25FN2O2S — CID 112818930

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C19H25FN2O2S/c1-12(2)10-22(13(3)4)19(23)18-14(5)21-17(25-18)11-24-16-8-6-15(20)7-9-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeySPWWBUIZDIGSET-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.68
Rot. Bonds7

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

2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 112818930) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID112818930
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C19H25FN2O2S/c1-12(2)10-22(13(3)4)19(23)18-14(5)21-17(25-18)11-24-16-8-6-15(20)7-9-16/h6-9,12-13H,10-11H2,1-5H3
InChIKeySPWWBUIZDIGSET-UHFFFAOYSA-N
XLogP4.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24639532
(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
N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 112817351
2-[(4-fluorophenoxy)methyl]-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119550008
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30292079
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
(4-methoxycarbonylphenyl) 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616472
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 18148839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 112818930) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SPWWBUIZDIGSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-12(2)10-22(13(3)4)19(23)18-14(5)21-17(25-18)11-24-16-8-6-15(20)7-9-16/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112818930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).