N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C19H23N3O2S — CID 56808608

IUPACN-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1CCCN1c1nccs1
InChIInChI=1S/C19H23N3O2S/c23-18(17-6-3-12-22(17)19-20-11-13-25-19)21-14-7-9-16(10-8-14)24-15-4-1-2-5-15/h7-11,13,15,17H,1-6,12H2,(H,21,23)
InChIKeyPQBUBMRVUIDCBC-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.07
Rot. Bonds5

About N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 56808608) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID56808608
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1CCCN1c1nccs1
InChIInChI=1S/C19H23N3O2S/c23-18(17-6-3-12-22(17)19-20-11-13-25-19)21-14-7-9-16(10-8-14)24-15-4-1-2-5-15/h7-11,13,15,17H,1-6,12H2,(H,21,23)
InChIKeyPQBUBMRVUIDCBC-UHFFFAOYSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155336
1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2947457
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396
N''-(3-methoxyphenyl)-N''-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-N-(2-thiazolyl)butanediamide
CID 3205683
2-((3-(4-methoxyphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3373843
N-(4-ethoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]propanamide
CID 2996580
N-(Benzylcarbamoyl-methyl)-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205297
N-(4-Ethoxy-phenyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205331
N-(tert-Butylcarbamoyl-methyl)-N-(4-methoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205519
N-(tert-Butylcarbamoyl-methyl)-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205520
N-(4-Methoxy-phenyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 3205684

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 56808608) is N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(OC2CCCC2)cc1)C1CCCN1c1nccs1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PQBUBMRVUIDCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(17-6-3-12-22(17)19-20-11-13-25-19)21-14-7-9-16(10-8-14)24-15-4-1-2-5-15/h7-11,13,15,17H,1-6,12H2,(H,21,23).
What are the key properties of N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56808608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).