2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H19N3O4S2 — CID 119245350

IUPAC2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)C2CSCN2C(=O)C2CCCC2)n1
InChIInChI=1S/C15H19N3O4S2/c19-13(16-5-12-17-10(6-24-12)15(21)22)11-7-23-8-18(11)14(20)9-3-1-2-4-9/h6,9,11H,1-5,7-8H2,(H,16,19)(H,21,22)
InChIKeyAFLQDTGUQLWNGC-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.55
Rot. Bonds5

About 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119245350) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119245350
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)C2CSCN2C(=O)C2CCCC2)n1
InChIInChI=1S/C15H19N3O4S2/c19-13(16-5-12-17-10(6-24-12)15(21)22)11-7-23-8-18(11)14(20)9-3-1-2-4-9/h6,9,11H,1-5,7-8H2,(H,16,19)(H,21,22)
InChIKeyAFLQDTGUQLWNGC-UHFFFAOYSA-N
XLogP1.55
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006
2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380845
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
2-[[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380362
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657
2-[(thiane-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 80594027
(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95337207
2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380661
2-[[[(1S,2R)-2-cyclohexylcyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 124570507
2-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245167
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244819

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119245350) is 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNC(=O)C2CSCN2C(=O)C2CCCC2)n1.
What is the InChIKey of 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AFLQDTGUQLWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c19-13(16-5-12-17-10(6-24-12)15(21)22)11-7-23-8-18(11)14(20)9-3-1-2-4-9/h6,9,11H,1-5,7-8H2,(H,16,19)(H,21,22).
What are the key properties of 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119245350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).