methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate

C12H17ClN2O3S — CID 113234215

IUPACmethyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C(C)O)CC2)nc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-7(16)8-3-5-15(6-4-8)12-14-10(13)9(19-12)11(17)18-2/h7-8,16H,3-6H2,1-2H3
InChIKeyDXAJGDSORKEZAU-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.18
Rot. Bonds3

About methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 113234215) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID113234215
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Namemethyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C(C)O)CC2)nc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-7(16)8-3-5-15(6-4-8)12-14-10(13)9(19-12)11(17)18-2/h7-8,16H,3-6H2,1-2H3
InChIKeyDXAJGDSORKEZAU-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
methyl 4-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 113234215) is methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCC(C(C)O)CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is DXAJGDSORKEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-7(16)8-3-5-15(6-4-8)12-14-10(13)9(19-12)11(17)18-2/h7-8,16H,3-6H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 304.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 113234215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).