N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine

C11H19N3OS — CID 63838892

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ncsc1CN(C)CC1CNCCO1
InChIInChI=1S/C11H19N3OS/c1-9-11(16-8-13-9)7-14(2)6-10-5-12-3-4-15-10/h8,10,12H,3-7H2,1-2H3
InChIKeyJDLZHLVCHKJUGF-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine (PubChem CID 63838892) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
PubChem CID63838892
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ncsc1CN(C)CC1CNCCO1
InChIInChI=1S/C11H19N3OS/c1-9-11(16-8-13-9)7-14(2)6-10-5-12-3-4-15-10/h8,10,12H,3-7H2,1-2H3
InChIKeyJDLZHLVCHKJUGF-UHFFFAOYSA-N
XLogP0.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine (CID 63838892) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine is Cc1ncsc1CN(C)CC1CNCCO1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
The InChIKey is JDLZHLVCHKJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-11(16-8-13-9)7-14(2)6-10-5-12-3-4-15-10/h8,10,12H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine has a molecular weight of 241.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 63838892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).