(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone

C9H9ClN2OS — CID 150421157

IUPAC(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CCSC1
InChIInChI=1S/C9H9ClN2OS/c10-8-7(2-1-3-11-8)9(13)12-4-5-14-6-12/h1-3H,4-6H2
InChIKeyHHURESQEXADWTL-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.88
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone

(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 150421157) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID150421157
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CCSC1
InChIInChI=1S/C9H9ClN2OS/c10-8-7(2-1-3-11-8)9(13)12-4-5-14-6-12/h1-3H,4-6H2
InChIKeyHHURESQEXADWTL-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122331936
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
3-(2-chloropyridine-3-carbonyl)-1,3-thiazinane-4-carboxylic acid
CID 21255193
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
1-(2-chloropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 60708067
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone (CID 150421157) is (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone is O=C(c1cccnc1Cl)N1CCSC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is HHURESQEXADWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c10-8-7(2-1-3-11-8)9(13)12-4-5-14-6-12/h1-3H,4-6H2.
What are the key properties of (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone?
(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 228.70 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 150421157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).