ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate

C19H26N2O4S — CID 139448235

IUPACethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccc(OC)nc1)c1nc(CCCC(C)O)cs1
InChIInChI=1S/C19H26N2O4S/c1-4-25-18(23)10-16(14-8-9-17(24-3)20-11-14)19-21-15(12-26-19)7-5-6-13(2)22/h8-9,11-13,16,22H,4-7,10H2,1-3H3
InChIKeyXRGFUKBXMVRFHD-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.34
Rot. Bonds10

About ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate

ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 139448235) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID139448235
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Nameethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccc(OC)nc1)c1nc(CCCC(C)O)cs1
InChIInChI=1S/C19H26N2O4S/c1-4-25-18(23)10-16(14-8-9-17(24-3)20-11-14)19-21-15(12-26-19)7-5-6-13(2)22/h8-9,11-13,16,22H,4-7,10H2,1-3H3
InChIKeyXRGFUKBXMVRFHD-UHFFFAOYSA-N
XLogP3.34
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate with MolForge

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Related Compounds

ethyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-1,3-thiazol-4-yl]-3-(6-methoxy-3-pyridinyl)butanoate
CID 21059941
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl 3-(6-methoxy-3-pyridinyl)-4-(methylamino)-4-sulfanylidenebutanoate
CID 134510820
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate
CID 134500350
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
CID 70191089

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate (CID 139448235) is ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate is CCOC(=O)CC(c1ccc(OC)nc1)c1nc(CCCC(C)O)cs1.
What is the InChIKey of ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is XRGFUKBXMVRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-4-25-18(23)10-16(14-8-9-17(24-3)20-11-14)19-21-15(12-26-19)7-5-6-13(2)22/h8-9,11-13,16,22H,4-7,10H2,1-3H3.
What are the key properties of ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate?
ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 378.49 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-hydroxypentyl)-1,3-thiazol-2-yl]-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 139448235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).