2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide

C20H28N2O3S — CID 97260487

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide
SMILESCCC(CC)[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)CCO1
InChIInChI=1S/C20H28N2O3S/c1-4-14(5-2)18-10-15(8-9-24-18)21-19(23)11-16-12-26-20(22-16)17-7-6-13(3)25-17/h6-7,12,14-15,18H,4-5,8-11H2,1-3H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyAXRLGFQUYAQFGS-YJBOKZPZSA-N
MW376.52 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide (PubChem CID 97260487) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide
PubChem CID97260487
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide
SMILESCCC(CC)[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)CCO1
InChIInChI=1S/C20H28N2O3S/c1-4-14(5-2)18-10-15(8-9-24-18)21-19(23)11-16-12-26-20(22-16)17-7-6-13(3)25-17/h6-7,12,14-15,18H,4-5,8-11H2,1-3H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyAXRLGFQUYAQFGS-YJBOKZPZSA-N
XLogP4.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46450701
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39129843
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
3-cyclohexyl-N'-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
CID 91642151
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606293
2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
CID 51132636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide (CID 97260487) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide is CCC(CC)[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)CCO1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide?
The InChIKey is AXRLGFQUYAQFGS-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-14(5-2)18-10-15(8-9-24-18)21-19(23)11-16-12-26-20(22-16)17-7-6-13(3)25-17/h6-7,12,14-15,18H,4-5,8-11H2,1-3H3,(H,21,23)/t15-,18-/m0/s1.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide has a molecular weight of 376.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]acetamide is sourced from PubChem (CID 97260487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).