(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

C15H21N5O2S — CID 97074651

IUPAC(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1ncc(CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)s1
InChIInChI=1S/C15H21N5O2S/c1-11-16-7-13(23-11)8-17-14(21)20-4-5-22-15(2,10-20)12-6-18-19(3)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyXZFTZNKOPWRTBA-OAHLLOKOSA-N
MW335.43 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (PubChem CID 97074651) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
PubChem CID97074651
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1ncc(CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)s1
InChIInChI=1S/C15H21N5O2S/c1-11-16-7-13(23-11)8-17-14(21)20-4-5-22-15(2,10-20)12-6-18-19(3)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyXZFTZNKOPWRTBA-OAHLLOKOSA-N
XLogP1.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (CID 97074651) is (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is Cc1ncc(CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)s1.
What is the InChIKey of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The InChIKey is XZFTZNKOPWRTBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-16-7-13(23-11)8-17-14(21)20-4-5-22-15(2,10-20)12-6-18-19(3)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,21)/t15-/m1/s1.
What are the key properties of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 97074651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).