N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C14H18N2O3S — CID 47411263

IUPACN-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOCCCc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C14H18N2O3S/c1-10(17)15-8-11-5-6-13(19-11)12-9-20-14(16-12)4-3-7-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyQMIRMWSIRDULIR-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.62
Rot. Bonds7

About N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 47411263) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID47411263
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOCCCc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C14H18N2O3S/c1-10(17)15-8-11-5-6-13(19-11)12-9-20-14(16-12)4-3-7-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyQMIRMWSIRDULIR-UHFFFAOYSA-N
XLogP2.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.62
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

N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 32618019
N-[[5-[2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47061881
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17464665
N-[[5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17460448
N-[[5-[2-[[N'-[2-(2-methoxyethoxy)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54534077
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978588
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17406432
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18127807

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 47411263) is N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is COCCCc1nc(-c2ccc(CNC(C)=O)o2)cs1.
What is the InChIKey of N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is QMIRMWSIRDULIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(17)15-8-11-5-6-13(19-11)12-9-20-14(16-12)4-3-7-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 47411263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).