ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

C11H10FN3O2S — CID 59864657

IUPACethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ncccc1F
InChIInChI=1S/C11H10FN3O2S/c1-2-17-10(16)9-8(15-11(13)18-9)7-6(12)4-3-5-14-7/h3-5H,2H2,1H3,(H2,13,15)
InChIKeyGSZOKSKTMDGJSW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.10
Rot. Bonds3

About ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 59864657) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID59864657
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ncccc1F
InChIInChI=1S/C11H10FN3O2S/c1-2-17-10(16)9-8(15-11(13)18-9)7-6(12)4-3-5-14-7/h3-5H,2H2,1H3,(H2,13,15)
InChIKeyGSZOKSKTMDGJSW-UHFFFAOYSA-N
XLogP2.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 2763623
Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
Propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134141484
Ethyl 2-(pyrimidin-2-ylamino)-4-[4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxylate
CID 134154875
ethyl 4-methyl-2-[(2E)-2-[1-(2-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 14407558
Propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134155117
Ethyl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156838
Ethyl 2-[(3-Methylphenyl)amino]-4-(4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 44225118
Ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134137559
Ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 134150869
ethyl 4-methyl-2-[(2E)-2-[1-(4-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 73346445
ethyl 4-methyl-2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]thiazole-5-carboxylate
CID 73351041

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (CID 59864657) is ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1ncccc1F.
What is the InChIKey of ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GSZOKSKTMDGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-2-17-10(16)9-8(15-11(13)18-9)7-6(12)4-3-5-14-7/h3-5H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).