N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide

C9H10ClN3OS — CID 123567068

IUPACN-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)C1NCCS1
InChIInChI=1S/C9H10ClN3OS/c10-6-3-7(5-11-4-6)13-8(14)9-12-1-2-15-9/h3-5,9,12H,1-2H2,(H,13,14)
InChIKeySPOVOHNGOCCCAO-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.34
Rot. Bonds2

About N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide

N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide (PubChem CID 123567068) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide
PubChem CID123567068
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC NameN-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)C1NCCS1
InChIInChI=1S/C9H10ClN3OS/c10-6-3-7(5-11-4-6)13-8(14)9-12-1-2-15-9/h3-5,9,12H,1-2H2,(H,13,14)
InChIKeySPOVOHNGOCCCAO-UHFFFAOYSA-N
XLogP1.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide (CID 123567068) is N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide is O=C(Nc1cncc(Cl)c1)C1NCCS1.
What is the InChIKey of N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide?
The InChIKey is SPOVOHNGOCCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-6-3-7(5-11-4-6)13-8(14)9-12-1-2-15-9/h3-5,9,12H,1-2H2,(H,13,14).
What are the key properties of N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide?
N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide has a molecular weight of 243.72 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 123567068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).