3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C13H21N3OS — CID 55176192

IUPAC3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCc2nccs2)CCNC1
InChIInChI=1S/C13H21N3OS/c1-2-4-13(5-7-14-10-13)12(17)16-6-3-11-15-8-9-18-11/h8-9,14H,2-7,10H2,1H3,(H,16,17)
InChIKeyNSQDEJKDYHUTJF-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.58
Rot. Bonds6

About 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide

3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55176192) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID55176192
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCc2nccs2)CCNC1
InChIInChI=1S/C13H21N3OS/c1-2-4-13(5-7-14-10-13)12(17)16-6-3-11-15-8-9-18-11/h8-9,14H,2-7,10H2,1H3,(H,16,17)
InChIKeyNSQDEJKDYHUTJF-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63239936
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 63239889
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63141437

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 55176192) is 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CCCC1(C(=O)NCCc2nccs2)CCNC1.
What is the InChIKey of 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NSQDEJKDYHUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-4-13(5-7-14-10-13)12(17)16-6-3-11-15-8-9-18-11/h8-9,14H,2-7,10H2,1H3,(H,16,17).
What are the key properties of 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55176192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).