N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C19H26N2O3S — CID 55724268

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCCOC3CCCCC3C)cs2)o1
InChIInChI=1S/C19H26N2O3S/c1-13-5-3-4-6-16(13)23-10-9-20-18(22)11-15-12-25-19(21-15)17-8-7-14(2)24-17/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,20,22)
InChIKeyIJEDOPHVJMWDHP-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55724268) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55724268
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCCOC3CCCCC3C)cs2)o1
InChIInChI=1S/C19H26N2O3S/c1-13-5-3-4-6-16(13)23-10-9-20-18(22)11-15-12-25-19(21-15)17-8-7-14(2)24-17/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,20,22)
InChIKeyIJEDOPHVJMWDHP-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N'-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
CID 91642151
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392951
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52515411
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 55607641
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 55724268) is N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NCCOC3CCCCC3C)cs2)o1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IJEDOPHVJMWDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13-5-3-4-6-16(13)23-10-9-20-18(22)11-15-12-25-19(21-15)17-8-7-14(2)24-17/h7-8,12-13,16H,3-6,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55724268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).