N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C17H16F3N3O3S — CID 110393700

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)16(26)23-7-1-2-13(23)15(25)21-8-14-22-12(9-27-14)10-3-5-11(24)6-4-10/h3-6,9,13,24H,1-2,7-8H2,(H,21,25)
InChIKeyVIWWZJWLUWPUAR-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.69
Rot. Bonds4

About N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110393700) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110393700
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(O)cc2)cs1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)16(26)23-7-1-2-13(23)15(25)21-8-14-22-12(9-27-14)10-3-5-11(24)6-4-10/h3-6,9,13,24H,1-2,7-8H2,(H,21,25)
InChIKeyVIWWZJWLUWPUAR-UHFFFAOYSA-N
XLogP2.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(2,4-dihydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 172467078
1-[3-(4-Methoxyphenyl)propanoyl]-N-[(2-phenyl-1,3-thiazol-4-YL)methyl]prolinamide
CID 75554204
(3S,9aR)-8-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-hydroxybenzyl)tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 126460755
(7R,9aR)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461652
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 136243192
4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-phosphanyl-1,3-thiazole-2-carboxamide
CID 68280258
(2S)-N-(1-cyanocyclopropyl)-3-(3,5-difluoro-4-hydroxyphenyl)-2-[[(1S)-2,2,2-trifluoro-1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]ethyl]amino]propanamide
CID 78322122
4-(3-fluoro-4-hydroxyphenyl)-N-hydroxy-N-methyl-1,3-thiazole-2-carboxamide
CID 88920543
4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 90260775
4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide
CID 90260927
2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 136641547
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[[4-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155755072

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110393700) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCc1nc(-c2ccc(O)cc2)cs1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is VIWWZJWLUWPUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)16(26)23-7-1-2-13(23)15(25)21-8-14-22-12(9-27-14)10-3-5-11(24)6-4-10/h3-6,9,13,24H,1-2,7-8H2,(H,21,25).
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110393700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).