5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid

C15H19N3O4S — CID 119127697

IUPAC5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)C1CSCN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H19N3O4S/c1-9(2)17(3)14(20)12-7-23-8-18(12)13(19)10-4-5-11(15(21)22)16-6-10/h4-6,9,12H,7-8H2,1-3H3,(H,21,22)
InChIKeyWFCRTEFAMYXFRJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.16
Rot. Bonds4

About 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid

5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119127697) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
PubChem CID119127697
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)C1CSCN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H19N3O4S/c1-9(2)17(3)14(20)12-7-23-8-18(12)13(19)10-4-5-11(15(21)22)16-6-10/h4-6,9,12H,7-8H2,1-3H3,(H,21,22)
InChIKeyWFCRTEFAMYXFRJ-UHFFFAOYSA-N
XLogP1.16
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95271784
(4S)-3-(isoquinoline-1-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95282188
(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95302461
N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419
3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 166427848
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95302302
3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 154872884
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
5-(2,5-dimethylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 43420937
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795

Frequently Asked Questions

What is the IUPAC name of 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid (CID 119127697) is 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid is CC(C)N(C)C(=O)C1CSCN1C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is WFCRTEFAMYXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9(2)17(3)14(20)12-7-23-8-18(12)13(19)10-4-5-11(15(21)22)16-6-10/h4-6,9,12H,7-8H2,1-3H3,(H,21,22).
What are the key properties of 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid?
5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 337.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119127697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).