ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate

C12H16FNO2S — CID 170160012

IUPACethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C2(F)CC2)sc1C(=O)OCC
InChIInChI=1S/C12H16FNO2S/c1-3-5-8-9(10(15)16-4-2)17-11(14-8)12(13)6-7-12/h3-7H2,1-2H3
InChIKeyQBWOKEAPIMVZSF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate

ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate (PubChem CID 170160012) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate
PubChem CID170160012
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Nameethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C2(F)CC2)sc1C(=O)OCC
InChIInChI=1S/C12H16FNO2S/c1-3-5-8-9(10(15)16-4-2)17-11(14-8)12(13)6-7-12/h3-7H2,1-2H3
InChIKeyQBWOKEAPIMVZSF-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-propyl-5-thiazolecarboxylic acid
CID 14653141
Methyl 2-bromo-4-cyclopropyl-1,3-thiazole-5-carboxylate
CID 129972428
Ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate
CID 150198981
Ethyl 2-methyl-4-propyl-1,3-thiazole-5-carboxylate
CID 56737794
Ethyl 2-Chloro-4-Ethyl-5-Thiazolecarboxylate
CID 13282757
Methyl 2-chloro-4-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-thiazole-5-carboxylate
CID 13282742
2-Fluoro-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885576
(6,6-Difluoro-5-methylhex-5-enyl) 4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 23020148
(6,6-Difluoro-5-methylhex-5-enyl) 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 23020167
(6,6-Difluoro-5-methylhex-5-enyl) 2-ethyl-4-methyl-1,3-thiazole-5-carboxylate
CID 23020208
(6,6-Difluoro-5-methylhex-5-enyl) 4-methyl-2-pentyl-1,3-thiazole-5-carboxylate
CID 23020256
(6,6-Difluoro-5-methylhex-5-enyl) 2-butyl-4-methyl-1,3-thiazole-5-carboxylate
CID 23020257

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate (CID 170160012) is ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(C2(F)CC2)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is QBWOKEAPIMVZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-3-5-8-9(10(15)16-4-2)17-11(14-8)12(13)6-7-12/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-fluorocyclopropyl)-4-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170160012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).