2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide

C17H23N3O2S — CID 119531755

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1csc(-c2ccc(C)o2)n1)C1CCNC1
InChIInChI=1S/C17H23N3O2S/c1-3-8-20(14-6-7-18-10-14)16(21)9-13-11-23-17(19-13)15-5-4-12(2)22-15/h4-5,11,14,18H,3,6-10H2,1-2H3
InChIKeyRSTIJRKVXJFLJN-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119531755) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119531755
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1csc(-c2ccc(C)o2)n1)C1CCNC1
InChIInChI=1S/C17H23N3O2S/c1-3-8-20(14-6-7-18-10-14)16(21)9-13-11-23-17(19-13)15-5-4-12(2)22-15/h4-5,11,14,18H,3,6-10H2,1-2H3
InChIKeyRSTIJRKVXJFLJN-UHFFFAOYSA-N
XLogP2.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119531441
N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119532609
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119533102
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119826140
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119531755) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)Cc1csc(-c2ccc(C)o2)n1)C1CCNC1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is RSTIJRKVXJFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-8-20(14-6-7-18-10-14)16(21)9-13-11-23-17(19-13)15-5-4-12(2)22-15/h4-5,11,14,18H,3,6-10H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 333.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119531755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).