3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

C15H25N3O2S — CID 71930766

IUPAC3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)OCCC(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H25N3O2S/c1-12(2)20-10-6-14(19)16-7-5-13-11-21-15(17-13)18-8-3-4-9-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyNLXOLWXLBJNZLG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.22
Rot. Bonds8

About 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 71930766) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID71930766
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)OCCC(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H25N3O2S/c1-12(2)20-10-6-14(19)16-7-5-13-11-21-15(17-13)18-8-3-4-9-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyNLXOLWXLBJNZLG-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
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1-Ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
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2-tert-butylsulfanyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
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N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
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2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
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N-(3-methylbutyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
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2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-sulfanylethyl)acetamide
CID 177679596
N-[2-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]ethyl]acetamide
CID 139707667
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 71930766) is 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is CC(C)OCCC(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is NLXOLWXLBJNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)20-10-6-14(19)16-7-5-13-11-21-15(17-13)18-8-3-4-9-18/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 311.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 71930766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).