4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

C23H25N5O4S — CID 3180294

IUPAC4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N
InChIInChI=1S/C23H25N5O4S/c24-17-18(21(25)29)27-33-20(17)23(31)28(13-14-7-2-1-3-8-14)19(16-11-6-12-32-16)22(30)26-15-9-4-5-10-15/h1-3,6-8,11-12,15,19H,4-5,9-10,13,24H2,(H2,25,29)(H,26,30)
InChIKeyMOELCGUYPFGWQU-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.86
Rot. Bonds8

About 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3180294) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3180294
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N
InChIInChI=1S/C23H25N5O4S/c24-17-18(21(25)29)27-33-20(17)23(31)28(13-14-7-2-1-3-8-14)19(16-11-6-12-32-16)22(30)26-15-9-4-5-10-15/h1-3,6-8,11-12,15,19H,4-5,9-10,13,24H2,(H2,25,29)(H,26,30)
InChIKeyMOELCGUYPFGWQU-UHFFFAOYSA-N
XLogP2.86
TPSA144.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-benzyl-5-N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide
CID 98097320
4-amino-5-N-benzyl-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25453921
4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 5176636
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25448131
4-amino-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(3,4-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180351
4-amino-5-N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180151
4-amino-5-N-[(2-chlorophenyl)methyl]-5-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40615292
4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3275445
4-amino-5-N-[2-(cyclopentylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3186383
4-amino-5-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180607
4-amino-5-N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 98094822
4-amino-3-N-cyclohexyl-5-N-[2-[(4-fluorophenyl)methylamino]-1-(furan-2-yl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 3190439

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide (CID 3180294) is 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N.
What is the InChIKey of 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is MOELCGUYPFGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c24-17-18(21(25)29)27-33-20(17)23(31)28(13-14-7-2-1-3-8-14)19(16-11-6-12-32-16)22(30)26-15-9-4-5-10-15/h1-3,6-8,11-12,15,19H,4-5,9-10,13,24H2,(H2,25,29)(H,26,30).
What are the key properties of 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3180294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).