(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide

C16H23N5O2S — CID 95156760

IUPAC(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C16H23N5O2S/c1-11(2)21-14(4-5-18-21)19-15(22)12(3)20-7-8-23-13(10-20)16-17-6-9-24-16/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyRAWCWKOVSUSZAY-OLZOCXBDSA-N
MW349.46 g/mol
LogP2.32
Rot. Bonds5

About (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide

(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide (PubChem CID 95156760) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide
PubChem CID95156760
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C16H23N5O2S/c1-11(2)21-14(4-5-18-21)19-15(22)12(3)20-7-8-23-13(10-20)16-17-6-9-24-16/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyRAWCWKOVSUSZAY-OLZOCXBDSA-N
XLogP2.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide (CID 95156760) is (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide is CC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1.
What is the InChIKey of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide?
The InChIKey is RAWCWKOVSUSZAY-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11(2)21-14(4-5-18-21)19-15(22)12(3)20-7-8-23-13(10-20)16-17-6-9-24-16/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide?
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 95156760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).