3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C13H21N3OS — CID 70776471

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ncsc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H21N3OS/c1-11-12(18-10-15-11)4-5-13(17)14-6-9-16-7-2-3-8-16/h10H,2-9H2,1H3,(H,14,17)
InChIKeyVUTRFUZINZIYPH-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.60
Rot. Bonds6

About 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 70776471) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID70776471
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ncsc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H21N3OS/c1-11-12(18-10-15-11)4-5-13(17)14-6-9-16-7-2-3-8-16/h10H,2-9H2,1H3,(H,14,17)
InChIKeyVUTRFUZINZIYPH-UHFFFAOYSA-N
XLogP1.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902520
(3S)-N,N-dimethyl-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]azepan-3-amine
CID 70706603
N-ethyl-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70741473
3-[3-(4-Methyl-1,3-thiazol-5-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56878971
N-[(1S*,2R*)-2-(cyclopentylamino)cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56914604
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxo-1-imidazolidinyl)ethyl]propanamide
CID 70707672
Methyl 4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-piperazinecarboxylate
CID 70773368
5-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-4-methyl-1,3-thiazole
CID 74247986
N~2~-[(dimethylamino)carbonyl]-N~1~-[3-(4-methyl-1,3-thiazol-5-yl)propyl]glycinamide
CID 77092075
N~1~-methyl-N~1~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-L-isoleucinamide
CID 90648049
1-(methylsulfonyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-L-prolinamide
CID 90651539
(3S)-3-butyl-1-methyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 96577587

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 70776471) is 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ncsc1CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is VUTRFUZINZIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11-12(18-10-15-11)4-5-13(17)14-6-9-16-7-2-3-8-16/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 267.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 70776471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).