4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine

C7H5ClN2S — CID 119083740

IUPAC4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESClCc1nccc2scnc12
InChIInChI=1S/C7H5ClN2S/c8-3-5-7-6(1-2-9-5)11-4-10-7/h1-2,4H,3H2
InChIKeyHHMRRDNLZSMVSP-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.43
Rot. Bonds1

About 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine

4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 119083740) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID119083740
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESClCc1nccc2scnc12
InChIInChI=1S/C7H5ClN2S/c8-3-5-7-6(1-2-9-5)11-4-10-7/h1-2,4H,3H2
InChIKeyHHMRRDNLZSMVSP-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.43
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

2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 76850460
4-phenyl-[1,3]thiazolo[4,5-c]pyridine
CID 140819940
4-(2-chloroethyl)-1,3-benzothiazole
CID 174440026
5-chloro-1,3-benzothiazol-4-amine
CID 21486281
1,3-benzothiazol-4-ylmethanol
CID 84652179
4-(3,5-dimethyl-1H-pyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 163381238
2,3-bis(chloromethyl)pyridine
CID 14518750
N-methyl-[1,3]thiazolo[4,5-f]quinolin-9-amine
CID 143249252
4-(chloromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 125426428
1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine
CID 173153815
[1,3]benzothiazolo[4,5-h]quinoline
CID 69275376

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine (CID 119083740) is 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine is ClCc1nccc2scnc12.
What is the InChIKey of 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HHMRRDNLZSMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-3-5-7-6(1-2-9-5)11-4-10-7/h1-2,4H,3H2.
What are the key properties of 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine?
4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 184.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 119083740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).