N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide

C13H21N3OS — CID 63281046

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCNC1
InChIInChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-8-13)12(17)15-7-11-10(2)16-9-18-11/h9,14H,3-8H2,1-2H3,(H,15,17)
InChIKeySBTGTNYPZGSBMG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63281046) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63281046
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCNC1
InChIInChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-8-13)12(17)15-7-11-10(2)16-9-18-11/h9,14H,3-8H2,1-2H3,(H,15,17)
InChIKeySBTGTNYPZGSBMG-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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 80592930
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63281046) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2scnc2C)CCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SBTGTNYPZGSBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-4-13(5-6-14-8-13)12(17)15-7-11-10(2)16-9-18-11/h9,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(4-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63281046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).