3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H24N2O4S — CID 63779368

IUPAC3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H24N2O4S/c1-10-16(12(9-21-10)13(18)19)14(20)15(7-8-17)11-5-3-2-4-6-11/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyZZHOYSSBUJQHDQ-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.58
Rot. Bonds4

About 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779368) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779368
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H24N2O4S/c1-10-16(12(9-21-10)13(18)19)14(20)15(7-8-17)11-5-3-2-4-6-11/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyZZHOYSSBUJQHDQ-UHFFFAOYSA-N
XLogP1.58
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxyethyl(methyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779853
2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780755
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781288
3-[cyclopropylmethyl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63956666
3-[bis(prop-2-enyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790659
3-[butan-2-yl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781248
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
3-[3-(dimethylamino)propyl-ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 102995481
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63779368) is 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZZHOYSSBUJQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10-16(12(9-21-10)13(18)19)14(20)15(7-8-17)11-5-3-2-4-6-11/h10-12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).