1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide

C16H22N4O3S — CID 87025334

IUPAC1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)Cc2csc(N3CCCC3=O)n2)CCCCC1
InChIInChI=1S/C16H22N4O3S/c17-14(23)16(6-2-1-3-7-16)19-12(21)9-11-10-24-15(18-11)20-8-4-5-13(20)22/h10H,1-9H2,(H2,17,23)(H,19,21)
InChIKeyJPZVTGPMYCCEEQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.12
Rot. Bonds5

About 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide

1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 87025334) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
PubChem CID87025334
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)Cc2csc(N3CCCC3=O)n2)CCCCC1
InChIInChI=1S/C16H22N4O3S/c17-14(23)16(6-2-1-3-7-16)19-12(21)9-11-10-24-15(18-11)20-8-4-5-13(20)22/h10H,1-9H2,(H2,17,23)(H,19,21)
InChIKeyJPZVTGPMYCCEEQ-UHFFFAOYSA-N
XLogP1.12
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 31164127
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
N-(1-amino-4-methylpentan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119586884
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
[2-(cyclohexylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667730
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide (CID 87025334) is 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide is NC(=O)C1(NC(=O)Cc2csc(N3CCCC3=O)n2)CCCCC1.
What is the InChIKey of 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is JPZVTGPMYCCEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c17-14(23)16(6-2-1-3-7-16)19-12(21)9-11-10-24-15(18-11)20-8-4-5-13(20)22/h10H,1-9H2,(H2,17,23)(H,19,21).
What are the key properties of 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide?
1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 87025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).