N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide

C13H15N5OS — CID 43698331

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CSCN2)cn1
InChIInChI=1S/C13H15N5OS/c1-9-14-4-5-18(9)12-3-2-10(6-15-12)17-13(19)11-7-20-8-16-11/h2-6,11,16H,7-8H2,1H3,(H,17,19)
InChIKeyLZZGUGNERKLAJD-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.18
Rot. Bonds3

About N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43698331) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43698331
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CSCN2)cn1
InChIInChI=1S/C13H15N5OS/c1-9-14-4-5-18(9)12-3-2-10(6-15-12)17-13(19)11-7-20-8-16-11/h2-6,11,16H,7-8H2,1H3,(H,17,19)
InChIKeyLZZGUGNERKLAJD-UHFFFAOYSA-N
XLogP1.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide (CID 43698331) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2CSCN2)cn1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LZZGUGNERKLAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-9-14-4-5-18(9)12-3-2-10(6-15-12)17-13(19)11-7-20-8-16-11/h2-6,11,16H,7-8H2,1H3,(H,17,19).
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43698331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).