[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone

C19H23N3OS — CID 137471114

IUPAC[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c20-16-9-10-22(19(23)14-7-4-8-14)17(16)11-15-12-24-18(21-15)13-5-2-1-3-6-13/h1-3,5-6,12,14,16-17H,4,7-11,20H2
InChIKeyQXPDCURNPKRLHU-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.08
Rot. Bonds4

About [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone

[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 137471114) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID137471114
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c20-16-9-10-22(19(23)14-7-4-8-14)17(16)11-15-12-24-18(21-15)13-5-2-1-3-6-13/h1-3,5-6,12,14,16-17H,4,7-11,20H2
InChIKeyQXPDCURNPKRLHU-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461982
[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 156533967
N-[(2R,3R)-1-(cyclobutanecarbonyl)-2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461961
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
CID 43056186
3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
CID 154960214
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
CID 154960189
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 137471114) is [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone is NC1CCN(C(=O)C2CCC2)C1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is QXPDCURNPKRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c20-16-9-10-22(19(23)14-7-4-8-14)17(16)11-15-12-24-18(21-15)13-5-2-1-3-6-13/h1-3,5-6,12,14,16-17H,4,7-11,20H2.
What are the key properties of [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 341.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 137471114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).