4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide

C24H27N5O3S2 — CID 5176636

IUPAC4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCCC2)c2cccs2)c1N
InChIInChI=1S/C24H27N5O3S2/c25-18-19(22(26)30)28-34-21(18)24(32)29(14-15-8-3-1-4-9-15)20(17-12-7-13-33-17)23(31)27-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,20H,2,5-6,10-11,14,25H2,(H2,26,30)(H,27,31)
InChIKeyQOZGFDKTYXLTFO-UHFFFAOYSA-N
MW497.65 g/mol
LogP3.72
Rot. Bonds8

About 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 5176636) has the molecular formula C24H27N5O3S2 and a molecular weight of 497.65 g/mol. Its IUPAC name is 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID5176636
Molecular FormulaC24H27N5O3S2
Molecular Weight497.65 g/mol
Exact Mass497.16
IUPAC Name4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCCC2)c2cccs2)c1N
InChIInChI=1S/C24H27N5O3S2/c25-18-19(22(26)30)28-34-21(18)24(32)29(14-15-8-3-1-4-9-15)20(17-12-7-13-33-17)23(31)27-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,20H,2,5-6,10-11,14,25H2,(H2,26,30)(H,27,31)
InChIKeyQOZGFDKTYXLTFO-UHFFFAOYSA-N
XLogP3.72
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180294
4-amino-5-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40647370
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-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185536
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-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(3,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25453909
4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(2-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40631738
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
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 1083856
4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182254
4-amino-5-N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180151

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide (CID 5176636) is 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCCC2)c2cccs2)c1N.
What is the InChIKey of 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is QOZGFDKTYXLTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S2/c25-18-19(22(26)30)28-34-21(18)24(32)29(14-15-8-3-1-4-9-15)20(17-12-7-13-33-17)23(31)27-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,20H,2,5-6,10-11,14,25H2,(H2,26,30)(H,27,31).
What are the key properties of 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 497.65 g/mol, XLogP of 3.72, 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-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 5176636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).