2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C11H17N3OS — CID 140551476

IUPAC2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCCC1CCc1ncc(C(N)=O)s1
InChIInChI=1S/C11H17N3OS/c1-14-6-2-3-8(14)4-5-10-13-7-9(16-10)11(12)15/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyLDLPWWJQFRZADJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 140551476) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID140551476
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCCC1CCc1ncc(C(N)=O)s1
InChIInChI=1S/C11H17N3OS/c1-14-6-2-3-8(14)4-5-10-13-7-9(16-10)11(12)15/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyLDLPWWJQFRZADJ-UHFFFAOYSA-N
XLogP1.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 140551476) is 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CN1CCCC1CCc1ncc(C(N)=O)s1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LDLPWWJQFRZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-6-2-3-8(14)4-5-10-13-7-9(16-10)11(12)15/h7-8H,2-6H2,1H3,(H2,12,15).
What are the key properties of 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 140551476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).