4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide

C15H17N3O3S — CID 175840543

IUPAC4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(ONC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-14(22-8-17-9)10-2-4-12(5-3-10)21-18-15(20)13-6-11(19)7-16-13/h2-5,8,11,13,16,19H,6-7H2,1H3,(H,18,20)
InChIKeyASDSTXDLGJDRHR-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.25
Rot. Bonds4

About 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide (PubChem CID 175840543) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
PubChem CID175840543
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(ONC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-14(22-8-17-9)10-2-4-12(5-3-10)21-18-15(20)13-6-11(19)7-16-13/h2-5,8,11,13,16,19H,6-7H2,1H3,(H,18,20)
InChIKeyASDSTXDLGJDRHR-UHFFFAOYSA-N
XLogP1.25
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126619720
(2S,4R)-N-[(1R)-2-(dimethylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 139530817
(3S)-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 170156064
(3R)-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butan-1-one
CID 158073307
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
CID 142573085
(2S,4R)-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 178004749
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
(2S,4R)-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 146502268
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
3-hydroxybenzoic acid;(2S,4R)-4-hydroxy-1-(3-hydroxybenzoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 159974735
4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119677969
(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 157089384

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide (CID 175840543) is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(ONC(=O)C2CC(O)CN2)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The InChIKey is ASDSTXDLGJDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-14(22-8-17-9)10-2-4-12(5-3-10)21-18-15(20)13-6-11(19)7-16-13/h2-5,8,11,13,16,19H,6-7H2,1H3,(H,18,20).
What are the key properties of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175840543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).