4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

C9H8ClN3OS — CID 106383027

IUPAC4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2cccc(Cl)n2)cs1
InChIInChI=1S/C9H8ClN3OS/c10-7-2-1-3-8(13-7)11-4-6-5-15-9(14)12-6/h1-3,5H,4H2,(H,11,13)(H,12,14)
InChIKeyOQDBKRAACHXTMX-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.10
Rot. Bonds3

About 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383027) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106383027
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2cccc(Cl)n2)cs1
InChIInChI=1S/C9H8ClN3OS/c10-7-2-1-3-8(13-7)11-4-6-5-15-9(14)12-6/h1-3,5H,4H2,(H,11,13)(H,12,14)
InChIKeyOQDBKRAACHXTMX-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383057
4-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379398
4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106382164
3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
CID 106382248
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
CID 106381406
4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384244
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
4-[[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383012
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106383027) is 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2cccc(Cl)n2)cs1.
What is the InChIKey of 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OQDBKRAACHXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-7-2-1-3-8(13-7)11-4-6-5-15-9(14)12-6/h1-3,5H,4H2,(H,11,13)(H,12,14).
What are the key properties of 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).