1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

C14H23N3OS — CID 95321562

IUPAC1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1nc(CNC[C@@H]2CN(C3CC3)CCO2)cs1
InChIInChI=1S/C14H23N3OS/c1-2-14-16-11(10-19-14)7-15-8-13-9-17(5-6-18-13)12-3-4-12/h10,12-13,15H,2-9H2,1H3/t13-/m1/s1
InChIKeyQNTDVMCZIXCYIO-CYBMUJFWSA-N
MW281.42 g/mol
LogP1.66
Rot. Bonds6

About 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine

1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 95321562) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID95321562
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCc1nc(CNC[C@@H]2CN(C3CC3)CCO2)cs1
InChIInChI=1S/C14H23N3OS/c1-2-14-16-11(10-19-14)7-15-8-13-9-17(5-6-18-13)12-3-4-12/h10,12-13,15H,2-9H2,1H3/t13-/m1/s1
InChIKeyQNTDVMCZIXCYIO-CYBMUJFWSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine (CID 95321562) is 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is CCc1nc(CNC[C@@H]2CN(C3CC3)CCO2)cs1.
What is the InChIKey of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is QNTDVMCZIXCYIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-14-16-11(10-19-14)7-15-8-13-9-17(5-6-18-13)12-3-4-12/h10,12-13,15H,2-9H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine?
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 95321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).