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

C20H23N3O2S — CID 141227524

IUPACN-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CNCCCCCc2ccccc2)cs1)c1ccco1
InChIInChI=1S/C20H23N3O2S/c24-19(18-11-7-13-25-18)23-20-22-17(15-26-20)14-21-12-6-2-5-10-16-8-3-1-4-9-16/h1,3-4,7-9,11,13,15,21H,2,5-6,10,12,14H2,(H,22,23,24)
InChIKeyHIPDVUNXYJZQCB-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.49
Rot. Bonds10

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

N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 141227524) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID141227524
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CNCCCCCc2ccccc2)cs1)c1ccco1
InChIInChI=1S/C20H23N3O2S/c24-19(18-11-7-13-25-18)23-20-22-17(15-26-20)14-21-12-6-2-5-10-16-8-3-1-4-9-16/h1,3-4,7-9,11,13,15,21H,2,5-6,10,12,14H2,(H,22,23,24)
InChIKeyHIPDVUNXYJZQCB-UHFFFAOYSA-N
XLogP4.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
N-[4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51213959
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26586291

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 141227524) is N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CNCCCCCc2ccccc2)cs1)c1ccco1.
What is the InChIKey of N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is HIPDVUNXYJZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(18-11-7-13-25-18)23-20-22-17(15-26-20)14-21-12-6-2-5-10-16-8-3-1-4-9-16/h1,3-4,7-9,11,13,15,21H,2,5-6,10,12,14H2,(H,22,23,24).
What are the key properties of N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 141227524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).