[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine

C11H19N3OS — CID 62463277

IUPAC[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCC1(C)COCCN1Cc1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-11(2)8-15-4-3-14(11)6-9-7-16-10(5-12)13-9/h7H,3-6,8,12H2,1-2H3
InChIKeyMQKNELHQOZFUJQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.21
Rot. Bonds3

About [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62463277) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62463277
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCC1(C)COCCN1Cc1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-11(2)8-15-4-3-14(11)6-9-7-16-10(5-12)13-9/h7H,3-6,8,12H2,1-2H3
InChIKeyMQKNELHQOZFUJQ-UHFFFAOYSA-N
XLogP1.21
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62463277) is [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is CC1(C)COCCN1Cc1csc(CN)n1.
What is the InChIKey of [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is MQKNELHQOZFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2)8-15-4-3-14(11)6-9-7-16-10(5-12)13-9/h7H,3-6,8,12H2,1-2H3.
What are the key properties of [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).