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

C17H21N3O3S — CID 119677969

IUPAC4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-7-23-13-5-3-11(4-6-13)15-10-24-17(19-15)20-16(22)14-8-12(21)9-18-14/h3-6,10,12,14,18,21H,2,7-9H2,1H3,(H,19,20,22)
InChIKeyUBSQVWVSHJQVNC-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.26
Rot. Bonds6

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

4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119677969) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID119677969
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-7-23-13-5-3-11(4-6-13)15-10-24-17(19-15)20-16(22)14-8-12(21)9-18-14/h3-6,10,12,14,18,21H,2,7-9H2,1H3,(H,19,20,22)
InChIKeyUBSQVWVSHJQVNC-UHFFFAOYSA-N
XLogP2.26
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134682
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119282683
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178767
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 119677969) is 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is CCCOc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UBSQVWVSHJQVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-7-23-13-5-3-11(4-6-13)15-10-24-17(19-15)20-16(22)14-8-12(21)9-18-14/h3-6,10,12,14,18,21H,2,7-9H2,1H3,(H,19,20,22).
What are the key properties of 4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.26, 6 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-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119677969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).