2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide

C14H18N2O4S — CID 103876778

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O4S/c1-19-8-11(17)4-5-15-13(18)7-10-9-21-14(16-10)12-3-2-6-20-12/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyZZHHUQORQKNSTQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.46
Rot. Bonds8

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 103876778) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID103876778
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O4S/c1-19-8-11(17)4-5-15-13(18)7-10-9-21-14(16-10)12-3-2-6-20-12/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyZZHHUQORQKNSTQ-UHFFFAOYSA-N
XLogP1.46
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
CID 51886493
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 30749222
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 103876778) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is ZZHHUQORQKNSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-19-8-11(17)4-5-15-13(18)7-10-9-21-14(16-10)12-3-2-6-20-12/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 103876778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).