N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C11H17N3OS — CID 110795653

IUPACN-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2CSCN2)c1
InChIInChI=1S/C11H17N3OS/c1-14-5-3-9(6-14)2-4-12-11(15)10-7-16-8-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3,(H,12,15)
InChIKeyFOMSNZPUOYHPDX-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.35
Rot. Bonds4

About N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110795653) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110795653
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCn1ccc(CCNC(=O)C2CSCN2)c1
InChIInChI=1S/C11H17N3OS/c1-14-5-3-9(6-14)2-4-12-11(15)10-7-16-8-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3,(H,12,15)
InChIKeyFOMSNZPUOYHPDX-UHFFFAOYSA-N
XLogP0.35
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110795653) is N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cn1ccc(CCNC(=O)C2CSCN2)c1.
What is the InChIKey of N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FOMSNZPUOYHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-5-3-9(6-14)2-4-12-11(15)10-7-16-8-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3,(H,12,15).
What are the key properties of N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110795653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).