(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide

C11H17N3O2S — CID 120940162

IUPAC(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H17N3O2S/c1-8-10(12-3-4-16-8)11(15)14(2)5-9-6-17-7-13-9/h6-8,10,12H,3-5H2,1-2H3/t8-,10+/m1/s1
InChIKeyTUMVZDANCQYAIP-SCZZXKLOSA-N
MW255.34 g/mol
LogP0.48
Rot. Bonds3

About (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide (PubChem CID 120940162) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
PubChem CID120940162
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H17N3O2S/c1-8-10(12-3-4-16-8)11(15)14(2)5-9-6-17-7-13-9/h6-8,10,12H,3-5H2,1-2H3/t8-,10+/m1/s1
InChIKeyTUMVZDANCQYAIP-SCZZXKLOSA-N
XLogP0.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide (CID 120940162) is (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cscn1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide?
The InChIKey is TUMVZDANCQYAIP-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(12-3-4-16-8)11(15)14(2)5-9-6-17-7-13-9/h6-8,10,12H,3-5H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 120940162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).