2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole

C9H7ClN2S — CID 14152289

IUPAC2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
SMILESClCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C9H7ClN2S/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5H2
InChIKeyVMZQFZZGXVRGBU-UHFFFAOYSA-N
MW210.69 g/mol
LogP2.94
Rot. Bonds2

About 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole

2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole (PubChem CID 14152289) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
PubChem CID14152289
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
SMILESClCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C9H7ClN2S/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5H2
InChIKeyVMZQFZZGXVRGBU-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 52.94
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

(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
2-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanoic acid
CID 82118920
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
4-(chloromethyl)-2,6-dipyridin-4-ylpyridine
CID 118828222
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole (CID 14152289) is 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole is ClCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole?
The InChIKey is VMZQFZZGXVRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-5-9-12-8(6-13-9)7-1-3-11-4-2-7/h1-4,6H,5H2.
What are the key properties of 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole?
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole has a molecular weight of 210.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 14152289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).