(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

C14H24N4OS — CID 136589466

IUPAC(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H24N4OS/c1-9(13-17-10(2)8-20-13)5-16-14(15)18-6-11(3)19-12(4)7-18/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16)/t9?,11-,12+
InChIKeyADDJZPQCVCTQAO-CLYYMRHHSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (PubChem CID 136589466) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
PubChem CID136589466
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H24N4OS/c1-9(13-17-10(2)8-20-13)5-16-14(15)18-6-11(3)19-12(4)7-18/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16)/t9?,11-,12+
InChIKeyADDJZPQCVCTQAO-CLYYMRHHSA-N
XLogP1.98
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (CID 136589466) is (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is ADDJZPQCVCTQAO-CLYYMRHHSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(13-17-10(2)8-20-13)5-16-14(15)18-6-11(3)19-12(4)7-18/h8-9,11-12H,5-7H2,1-4H3,(H2,15,16)/t9?,11-,12+.
What are the key properties of (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 296.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 136589466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).