2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

C11H16ClN3OS — CID 79765475

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cnc(Cl)s1
InChIInChI=1S/C11H16ClN3OS/c1-14(7-9-6-13-11(12)17-9)8-10(16)15-4-2-3-5-15/h6H,2-5,7-8H2,1H3
InChIKeyMGPQUFIZUMMICU-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.85
Rot. Bonds4

About 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 79765475) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID79765475
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cnc(Cl)s1
InChIInChI=1S/C11H16ClN3OS/c1-14(7-9-6-13-11(12)17-9)8-10(16)15-4-2-3-5-15/h6H,2-5,7-8H2,1H3
InChIKeyMGPQUFIZUMMICU-UHFFFAOYSA-N
XLogP1.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 79765475) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is MGPQUFIZUMMICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-14(7-9-6-13-11(12)17-9)8-10(16)15-4-2-3-5-15/h6H,2-5,7-8H2,1H3.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 273.79 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).