(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C14H9ClFN3O2S2 — CID 29253274

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nnsc1Cl
InChIInChI=1S/C14H9ClFN3O2S2/c1-7-11(14(20)21-6-10-12(15)23-19-18-10)22-13(17-7)8-2-4-9(16)5-3-8/h2-5H,6H2,1H3
InChIKeyONQRAXONBGECDI-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.12
Rot. Bonds4

About (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 29253274) has the molecular formula C14H9ClFN3O2S2 and a molecular weight of 369.83 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID29253274
Molecular FormulaC14H9ClFN3O2S2
Molecular Weight369.83 g/mol
Exact Mass368.98
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nnsc1Cl
InChIInChI=1S/C14H9ClFN3O2S2/c1-7-11(14(20)21-6-10-12(15)23-19-18-10)22-13(17-7)8-2-4-9(16)5-3-8/h2-5H,6H2,1H3
InChIKeyONQRAXONBGECDI-UHFFFAOYSA-N
XLogP4.12
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513422
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647550
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24558728
(5-acetyl-2-methoxyphenyl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512568
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135815721
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513438
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660082
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55394652
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519685

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 29253274) is (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ONQRAXONBGECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2S2/c1-7-11(14(20)21-6-10-12(15)23-19-18-10)22-13(17-7)8-2-4-9(16)5-3-8/h2-5H,6H2,1H3.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 369.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 29253274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).