N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

C11H17N3OS — CID 90619300

IUPACN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCCN1c1nccs1
InChIInChI=1S/C11H17N3OS/c1-2-10(15)13-8-9-4-3-6-14(9)11-12-5-7-16-11/h5,7,9H,2-4,6,8H2,1H3,(H,13,15)
InChIKeyOBEIXNSICPFWPX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.64
Rot. Bonds4

About N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (PubChem CID 90619300) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
PubChem CID90619300
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCCN1c1nccs1
InChIInChI=1S/C11H17N3OS/c1-2-10(15)13-8-9-4-3-6-14(9)11-12-5-7-16-11/h5,7,9H,2-4,6,8H2,1H3,(H,13,15)
InChIKeyOBEIXNSICPFWPX-UHFFFAOYSA-N
XLogP1.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619405
5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 90619538
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619550
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]butane-1-sulfonamide
CID 90619625
3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619408
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598
3-(4-chloro-3-fluorophenyl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619449

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (CID 90619300) is N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is CCC(=O)NCC1CCCN1c1nccs1.
What is the InChIKey of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is OBEIXNSICPFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-10(15)13-8-9-4-3-6-14(9)11-12-5-7-16-11/h5,7,9H,2-4,6,8H2,1H3,(H,13,15).
What are the key properties of N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 90619300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).