2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C9H13ClN2S — CID 62923059

IUPAC2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(CCl)sc2C1
InChIInChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3
InChIKeyFIUUMCGYKVMKNX-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.26
Rot. Bonds2

About 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62923059) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62923059
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(CCl)sc2C1
InChIInChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3
InChIKeyFIUUMCGYKVMKNX-UHFFFAOYSA-N
XLogP2.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
N-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 62923045
(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639
2-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)guanidine
CID 10082387
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 123501713
2-(4-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 79831170
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
4-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrrole-2-carboxamide
CID 29413278
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
2-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 82155255

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 62923059) is 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCN1CCc2nc(CCl)sc2C1.
What is the InChIKey of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FIUUMCGYKVMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-2-12-4-3-7-8(6-12)13-9(5-10)11-7/h2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 216.74 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62923059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).