2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide

C15H17FN2O3S — CID 111695081

IUPAC2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O3S/c1-18(7-12(19)8-21-2)15(20)13-9-22-14(17-13)10-3-5-11(16)6-4-10/h3-6,9,12,19H,7-8H2,1-2H3
InChIKeyFROVYNZINALDON-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 111695081) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID111695081
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O3S/c1-18(7-12(19)8-21-2)15(20)13-9-22-14(17-13)10-3-5-11(16)6-4-10/h3-6,9,12,19H,7-8H2,1-2H3
InChIKeyFROVYNZINALDON-UHFFFAOYSA-N
XLogP2.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021985
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99130242
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134062420
2-(4-fluorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 86912165
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 111695081) is 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide is COCC(O)CN(C)C(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FROVYNZINALDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-18(7-12(19)8-21-2)15(20)13-9-22-14(17-13)10-3-5-11(16)6-4-10/h3-6,9,12,19H,7-8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111695081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).