N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide

C13H21N3OS — CID 63141539

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cnc(C)s2)CCNC1
InChIInChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-9-13)12(17)16-8-11-7-15-10(2)18-11/h7,14H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyGPSDKMIIOVPYFK-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141539) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63141539
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cnc(C)s2)CCNC1
InChIInChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-9-13)12(17)16-8-11-7-15-10(2)18-11/h7,14H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyGPSDKMIIOVPYFK-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645205
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 106396912
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63141539) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2cnc(C)s2)CCNC1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is GPSDKMIIOVPYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-9-13)12(17)16-8-11-7-15-10(2)18-11/h7,14H,3-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).