N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C16H21N3OS2 — CID 119532609

IUPACN-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCNC1
InChIInChI=1S/C16H21N3OS2/c1-2-7-19(13-5-6-17-10-13)15(20)9-12-11-22-16(18-12)14-4-3-8-21-14/h3-4,8,11,13,17H,2,5-7,9-10H2,1H3
InChIKeyLWXAMCRTXYBBTK-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.01
Rot. Bonds6

About N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 119532609) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID119532609
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC NameN-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCNC1
InChIInChI=1S/C16H21N3OS2/c1-2-7-19(13-5-6-17-10-13)15(20)9-12-11-22-16(18-12)14-4-3-8-21-14/h3-4,8,11,13,17H,2,5-7,9-10H2,1H3
InChIKeyLWXAMCRTXYBBTK-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 119532609) is N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CCCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LWXAMCRTXYBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-2-7-19(13-5-6-17-10-13)15(20)9-12-11-22-16(18-12)14-4-3-8-21-14/h3-4,8,11,13,17H,2,5-7,9-10H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 335.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 119532609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).