(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide

C15H25N3OS — CID 126452069

IUPAC(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESC[C@H](CCC(=O)NCCCc1nccs1)N1CCCC1
InChIInChI=1S/C15H25N3OS/c1-13(18-10-2-3-11-18)6-7-14(19)16-8-4-5-15-17-9-12-20-15/h9,12-13H,2-8,10-11H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyMXJYIUDNXZGBRZ-CYBMUJFWSA-N
MW295.45 g/mol
LogP2.46
Rot. Bonds8

About (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide

(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide (PubChem CID 126452069) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
PubChem CID126452069
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESC[C@H](CCC(=O)NCCCc1nccs1)N1CCCC1
InChIInChI=1S/C15H25N3OS/c1-13(18-10-2-3-11-18)6-7-14(19)16-8-4-5-15-17-9-12-20-15/h9,12-13H,2-8,10-11H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyMXJYIUDNXZGBRZ-CYBMUJFWSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
4-(azepan-1-yl)-4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 135099676
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 107910060
(4R)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126435454
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N-[2-(dimethylamino)-2-oxoethyl]-4-pyrrolidin-1-ylpentanamide
CID 131892803
N-[(8-methylquinolin-5-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 118788154
(4R)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126435440
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082

Frequently Asked Questions

What is the IUPAC name of (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide?
The IUPAC name of (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide (CID 126452069) is (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide.
What is the SMILES notation for (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide?
The canonical SMILES for (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide is C[C@H](CCC(=O)NCCCc1nccs1)N1CCCC1.
What is the InChIKey of (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide?
The InChIKey is MXJYIUDNXZGBRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-13(18-10-2-3-11-18)6-7-14(19)16-8-4-5-15-17-9-12-20-15/h9,12-13H,2-8,10-11H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide?
(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide has a molecular weight of 295.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 126452069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).