N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C24H26N4O3S2 — CID 1451092

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1
InChIInChI=1S/C24H26N4O3S2/c1-24(2,3)20-14-32-22(26-20)27-21(29)15-33-23-25-12-19(16-7-9-17(30-4)10-8-16)28(23)13-18-6-5-11-31-18/h5-12,14H,13,15H2,1-4H3,(H,26,27,29)
InChIKeyHJHLFEDSWNRQLT-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.68
Rot. Bonds8

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 1451092) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID1451092
Molecular FormulaC24H26N4O3S2
Molecular Weight482.63 g/mol
Exact Mass482.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1
InChIInChI=1S/C24H26N4O3S2/c1-24(2,3)20-14-32-22(26-20)27-21(29)15-33-23-25-12-19(16-7-9-17(30-4)10-8-16)28(23)13-18-6-5-11-31-18/h5-12,14H,13,15H2,1-4H3,(H,26,27,29)
InChIKeyHJHLFEDSWNRQLT-UHFFFAOYSA-N
XLogP5.68
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide 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-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
{2-[2-(4-Furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3177765
2-[1-Furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 646858
N-{2-[(Furan-2-ylmethyl)-amino]-4'-methyl-[4,5']bithiazolyl-2'-yl}-benzamide
CID 655046
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1139039
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898
N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2458702
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-(p-tolyloxy)acetamide
CID 44448025
2-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454502

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 1451092) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is HJHLFEDSWNRQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c1-24(2,3)20-14-32-22(26-20)27-21(29)15-33-23-25-12-19(16-7-9-17(30-4)10-8-16)28(23)13-18-6-5-11-31-18/h5-12,14H,13,15H2,1-4H3,(H,26,27,29).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 482.63 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 1451092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).