3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H20N4O3S — CID 63781691

IUPAC3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H20N4O3S/c1-3-4-11-17(10(8-21-11)12(18)19)13(20)14-5-9-6-15-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyCPEGXPMMNCRFLY-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.26
Rot. Bonds5

About 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781691) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781691
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H20N4O3S/c1-3-4-11-17(10(8-21-11)12(18)19)13(20)14-5-9-6-15-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyCPEGXPMMNCRFLY-UHFFFAOYSA-N
XLogP1.26
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781001
4-[(1-methylpyrazol-4-yl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82905520
3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
3-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779933
3-(2-prop-2-enylsulfanylethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 106430361
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79872072
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide
CID 42748491
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63781691) is 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)NCc1cnn(C)c1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CPEGXPMMNCRFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-3-4-11-17(10(8-21-11)12(18)19)13(20)14-5-9-6-15-16(2)7-9/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).