N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H21N3O4S — CID 41230385

IUPACN-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)OCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C16H21N3O4S/c1-11(2)22-8-4-6-17-14(20)9-12-10-24-16(18-12)19-15(21)13-5-3-7-23-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyRHUJXRHHRURWGP-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.46
Rot. Bonds9

About N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 41230385) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID41230385
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)OCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C16H21N3O4S/c1-11(2)22-8-4-6-17-14(20)9-12-10-24-16(18-12)19-15(21)13-5-3-7-23-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyRHUJXRHHRURWGP-UHFFFAOYSA-N
XLogP2.46
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530
N-[4-[2-oxo-2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86896401
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-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 41230385) is N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)OCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is RHUJXRHHRURWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11(2)22-8-4-6-17-14(20)9-12-10-24-16(18-12)19-15(21)13-5-3-7-23-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 41230385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).