2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide

C15H18N2O3S2 — CID 111484822

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCC1(O)CCSCC1
InChIInChI=1S/C15H18N2O3S2/c18-13(16-10-15(19)2-5-21-6-3-15)7-12-9-22-14(17-12)11-1-4-20-8-11/h1,4,8-9,19H,2-3,5-7,10H2,(H,16,18)
InChIKeyBWYMOWNROXADHJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.32
Rot. Bonds5

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

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484822) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484822
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCC1(O)CCSCC1
InChIInChI=1S/C15H18N2O3S2/c18-13(16-10-15(19)2-5-21-6-3-15)7-12-9-22-14(17-12)11-1-4-20-8-11/h1,4,8-9,19H,2-3,5-7,10H2,(H,16,18)
InChIKeyBWYMOWNROXADHJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-furylmethyl)-3-oxopiperazin-2-yl]-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 16190709
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 56793934
2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 71932200
2-(furan-3-yl)-N-(oxan-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 72004241
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 72006962
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
CID 72006973
N-(2-{2-[1-(Furan-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)acetamide
CID 53149562
N-(2-{2-[1-(Furan-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)-2-methylpropanamide
CID 71835731
N-(2-{2-[1-(3-Furylcarbonyl)-3-piperidyl]-1,3-thiazol-4-YL}ethyl)-1-cyclopropanecarboxamide
CID 71841734
N-(2-{2-[1-(3-Furylcarbonyl)-3-piperidyl]-1,3-thiazol-4-YL}ethyl)propanamide
CID 71841811
N~1~-(2-{2-[1-(3-Furylcarbonyl)-4-piperidyl]-1,3-thiazol-4-YL}ethyl)-1-cyclopropanecarboxamide
CID 71841912
N-({2-[1-(Furan-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}methyl)-2-methylpropanamide
CID 71842082

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484822) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide is O=C(Cc1csc(-c2ccoc2)n1)NCC1(O)CCSCC1.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is BWYMOWNROXADHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-13(16-10-15(19)2-5-21-6-3-15)7-12-9-22-14(17-12)11-1-4-20-8-11/h1,4,8-9,19H,2-3,5-7,10H2,(H,16,18).
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).