3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C16H24N4O2S — CID 56786872

IUPAC3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C16H24N4O2S/c1-18(2)16(22)14-10-23-11-19(14)15(21)12-8-17-20(9-12)13-6-4-3-5-7-13/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyRAAUDRFJCAJHEU-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.99
Rot. Bonds3

About 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 56786872) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID56786872
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C16H24N4O2S/c1-18(2)16(22)14-10-23-11-19(14)15(21)12-8-17-20(9-12)13-6-4-3-5-7-13/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyRAAUDRFJCAJHEU-UHFFFAOYSA-N
XLogP1.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 56786872) is 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)C1CSCN1C(=O)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is RAAUDRFJCAJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-18(2)16(22)14-10-23-11-19(14)15(21)12-8-17-20(9-12)13-6-4-3-5-7-13/h8-9,13-14H,3-7,10-11H2,1-2H3.
What are the key properties of 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpyrazole-4-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 56786872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).