4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H26N2O4S — CID 119229835

IUPAC4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)N1CSCC1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H26N2O4S/c1-2-3-4-14(19)18-10-23-9-13(18)15(20)17-12-7-5-11(6-8-12)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyPCJPTCGBWRKDMD-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.84
Rot. Bonds6

About 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229835) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229835
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)N1CSCC1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H26N2O4S/c1-2-3-4-14(19)18-10-23-9-13(18)15(20)17-12-7-5-11(6-8-12)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyPCJPTCGBWRKDMD-UHFFFAOYSA-N
XLogP1.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398
1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119167612
3-acetyl-N-(4-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 47080816
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119456046
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119529034
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119647278
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229835) is 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCCC(=O)N1CSCC1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PCJPTCGBWRKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-2-3-4-14(19)18-10-23-9-13(18)15(20)17-12-7-5-11(6-8-12)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 342.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).