N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide

C9H10ClN3OS — CID 103094179

IUPACN-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1CSCN1
InChIInChI=1S/C9H10ClN3OS/c10-6-2-1-3-11-8(6)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,11,13,14)
InChIKeyHCAIGGCKOPWMKZ-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.34
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide

N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103094179) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103094179
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC NameN-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1CSCN1
InChIInChI=1S/C9H10ClN3OS/c10-6-2-1-3-11-8(6)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,11,13,14)
InChIKeyHCAIGGCKOPWMKZ-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-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide (CID 103094179) is N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ncccc1Cl)C1CSCN1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HCAIGGCKOPWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-6-2-1-3-11-8(6)13-9(14)7-4-15-5-12-7/h1-3,7,12H,4-5H2,(H,11,13,14).
What are the key properties of N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-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-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103094179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).