N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

C21H26N4O3S — CID 3205404

IUPACN'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C21H26N4O3S/c26-18(24-21-22-12-13-29-21)10-11-20(28)25(14-16-6-2-1-3-7-16)15-19(27)23-17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2,(H,23,27)(H,22,24,26)
InChIKeyCYUDZXVVTYJSMY-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.95
Rot. Bonds9

About N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205404) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205404
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C21H26N4O3S/c26-18(24-21-22-12-13-29-21)10-11-20(28)25(14-16-6-2-1-3-7-16)15-19(27)23-17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2,(H,23,27)(H,22,24,26)
InChIKeyCYUDZXVVTYJSMY-UHFFFAOYSA-N
XLogP2.95
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-Phenethyl-N'-thiazol-2-yl-oxalamide
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N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
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CID 16098903
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2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 6461926
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N4-(thiazol-2-yl)succinamide
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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205404) is N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1nccs1.
What is the InChIKey of N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is CYUDZXVVTYJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-18(24-21-22-12-13-29-21)10-11-20(28)25(14-16-6-2-1-3-7-16)15-19(27)23-17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14-15H2,(H,23,27)(H,22,24,26).
What are the key properties of N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 414.53 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).