2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H17N5O3S — CID 42285717

IUPAC2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1nccs1
InChIInChI=1S/C14H17N5O3S/c1-10-8-11(13(21)18-3-5-22-6-4-18)17-19(10)9-12(20)16-14-15-2-7-23-14/h2,7-8H,3-6,9H2,1H3,(H,15,16,20)
InChIKeyHXLDWKLGSCUPCK-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.76
Rot. Bonds4

About 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 42285717) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID42285717
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1nccs1
InChIInChI=1S/C14H17N5O3S/c1-10-8-11(13(21)18-3-5-22-6-4-18)17-19(10)9-12(20)16-14-15-2-7-23-14/h2,7-8H,3-6,9H2,1H3,(H,15,16,20)
InChIKeyHXLDWKLGSCUPCK-UHFFFAOYSA-N
XLogP0.76
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 42285717) is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1nccs1.
What is the InChIKey of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HXLDWKLGSCUPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-10-8-11(13(21)18-3-5-22-6-4-18)17-19(10)9-12(20)16-14-15-2-7-23-14/h2,7-8H,3-6,9H2,1H3,(H,15,16,20).
What are the key properties of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42285717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).