N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride

C9H14ClN3OS — CID 131065818

IUPACN-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1(c2nccs2)CCNC1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-7(13)12-9(2-3-10-6-9)8-11-4-5-14-8;/h4-5,10H,2-3,6H2,1H3,(H,12,13);1H
InChIKeyKLSRGYRJAUXZST-UHFFFAOYSA-N
MW247.75 g/mol
LogP0.89
Rot. Bonds2

About N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride

N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 131065818) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID131065818
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC NameN-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1(c2nccs2)CCNC1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-7(13)12-9(2-3-10-6-9)8-11-4-5-14-8;/h4-5,10H,2-3,6H2,1H3,(H,12,13);1H
InChIKeyKLSRGYRJAUXZST-UHFFFAOYSA-N
XLogP0.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride (CID 131065818) is N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride is CC(=O)NC1(c2nccs2)CCNC1.Cl.
What is the InChIKey of N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is KLSRGYRJAUXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c1-7(13)12-9(2-3-10-6-9)8-11-4-5-14-8;/h4-5,10H,2-3,6H2,1H3,(H,12,13);1H.
What are the key properties of N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 131065818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).