5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate

C19H24N2O4S — CID 167862109

IUPAC5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESO=C(OCCCCCO)c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-11-5-2-6-12-25-18(23)17-16(15-7-3-1-4-8-15)20-19(26-17)21-9-13-24-14-10-21/h1,3-4,7-8,22H,2,5-6,9-14H2
InChIKeyVYYUDMRDEMUBHR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.97
Rot. Bonds8

About 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate

5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 167862109) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID167862109
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESO=C(OCCCCCO)c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-11-5-2-6-12-25-18(23)17-16(15-7-3-1-4-8-15)20-19(26-17)21-9-13-24-14-10-21/h1,3-4,7-8,22H,2,5-6,9-14H2
InChIKeyVYYUDMRDEMUBHR-UHFFFAOYSA-N
XLogP2.97
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 68909460
2-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 2144787
[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-naphthalen-1-ylmethanone
CID 154732384
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
4-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)morpholine
CID 15724124
(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155531820
[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 167948630
2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 100756612

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate (CID 167862109) is 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate is O=C(OCCCCCO)c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is VYYUDMRDEMUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-11-5-2-6-12-25-18(23)17-16(15-7-3-1-4-8-15)20-19(26-17)21-9-13-24-14-10-21/h1,3-4,7-8,22H,2,5-6,9-14H2.
What are the key properties of 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate?
5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 167862109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).