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

C17H17N5O3S2 — CID 30865640

IUPAC2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)Nc1nccs1
InChIInChI=1S/C17H17N5O3S2/c23-15(19-17-18-3-9-27-17)11-22-13(14-2-1-8-26-14)10-12(20-22)16(24)21-4-6-25-7-5-21/h1-3,8-10H,4-7,11H2,(H,18,19,23)
InChIKeyZXSKWQUHCMFPPQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.18
Rot. Bonds5

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

2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 30865640) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID30865640
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)Nc1nccs1
InChIInChI=1S/C17H17N5O3S2/c23-15(19-17-18-3-9-27-17)11-22-13(14-2-1-8-26-14)10-12(20-22)16(24)21-4-6-25-7-5-21/h1-3,8-10H,4-7,11H2,(H,18,19,23)
InChIKeyZXSKWQUHCMFPPQ-UHFFFAOYSA-N
XLogP2.18
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 30865640) is 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)Nc1nccs1.
What is the InChIKey of 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZXSKWQUHCMFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c23-15(19-17-18-3-9-27-17)11-22-13(14-2-1-8-26-14)10-12(20-22)16(24)21-4-6-25-7-5-21/h1-3,8-10H,4-7,11H2,(H,18,19,23).
What are the key properties of 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30865640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).