2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide

C16H23N5O2S — CID 98527652

IUPAC2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C16H23N5O2S/c1-3-6-21-14(4-5-17-21)19-15(22)10-20-7-8-23-13(9-20)16-18-12(2)11-24-16/h4-5,11,13H,3,6-10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyOBZBROTXHYMQBA-CYBMUJFWSA-N
MW349.46 g/mol
LogP2.07
Rot. Bonds6

About 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide

2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 98527652) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID98527652
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C16H23N5O2S/c1-3-6-21-14(4-5-17-21)19-15(22)10-20-7-8-23-13(9-20)16-18-12(2)11-24-16/h4-5,11,13H,3,6-10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyOBZBROTXHYMQBA-CYBMUJFWSA-N
XLogP2.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide (CID 98527652) is 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1.
What is the InChIKey of 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is OBZBROTXHYMQBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-6-21-14(4-5-17-21)19-15(22)10-20-7-8-23-13(9-20)16-18-12(2)11-24-16/h4-5,11,13H,3,6-10H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide?
2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 98527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).