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

C9H8ClFN2S — CID 142782901

IUPAC5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole
SMILESFC1(c2ncc(CCl)s2)C=CN=CC1
InChIInChI=1S/C9H8ClFN2S/c10-5-7-6-13-8(14-7)9(11)1-3-12-4-2-9/h1,3-4,6H,2,5H2
InChIKeyCYSUWGWPALTGTP-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.03
Rot. Bonds2

About 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole

5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole (PubChem CID 142782901) has the molecular formula C9H8ClFN2S and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole
PubChem CID142782901
Molecular FormulaC9H8ClFN2S
Molecular Weight230.70 g/mol
Exact Mass230.01
IUPAC Name5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole
SMILESFC1(c2ncc(CCl)s2)C=CN=CC1
InChIInChI=1S/C9H8ClFN2S/c10-5-7-6-13-8(14-7)9(11)1-3-12-4-2-9/h1,3-4,6H,2,5H2
InChIKeyCYSUWGWPALTGTP-UHFFFAOYSA-N
XLogP3.03
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.03
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-(Chloromethyl)-2-(2-methylpropyl)-1,3-thiazole hydrochloride
CID 177798613
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
CID 123527995
2-[2-(3-Chloro-1-fluorocyclohexa-2,5-dien-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 173860006
5-(Chloromethyl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 79964868
5-(Chloromethyl)-2-propyl-1,3-thiazole
CID 20312955
5-(1-Chloroethyl)-2-methyl-1,3-thiazole
CID 21698451
2-Butan-2-yl-5-(chloromethyl)-1,3-thiazole
CID 65575491
5-(Chloromethyl)-2-(2-methylpropyl)-1,3-thiazole
CID 65575723
5-(Chloromethyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 65576001
2-[(Z)-3-chloro-2-methylprop-1-enyl]-5-ethyl-1,3-thiazole
CID 133619425

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole (CID 142782901) is 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole is FC1(c2ncc(CCl)s2)C=CN=CC1.
What is the InChIKey of 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole?
The InChIKey is CYSUWGWPALTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2S/c10-5-7-6-13-8(14-7)9(11)1-3-12-4-2-9/h1,3-4,6H,2,5H2.
What are the key properties of 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole?
5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole has a molecular weight of 230.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-fluoro-3H-pyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 142782901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).