N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H18N2OS — CID 97235089

IUPACN-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCN(Cc1nccs1)C[C@@H]1CCCOC1
InChIInChI=1S/C11H18N2OS/c1-13(8-11-12-4-6-15-11)7-10-3-2-5-14-9-10/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1
InChIKeySTVPSIWMQYIPAA-JTQLQIEISA-N
MW226.34 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 97235089) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID97235089
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCN(Cc1nccs1)C[C@@H]1CCCOC1
InChIInChI=1S/C11H18N2OS/c1-13(8-11-12-4-6-15-11)7-10-3-2-5-14-9-10/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1
InChIKeySTVPSIWMQYIPAA-JTQLQIEISA-N
XLogP2.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 97235089) is N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is CN(Cc1nccs1)C[C@@H]1CCCOC1.
What is the InChIKey of N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is STVPSIWMQYIPAA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2OS/c1-13(8-11-12-4-6-15-11)7-10-3-2-5-14-9-10/h4,6,10H,2-3,5,7-9H2,1H3/t10-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 97235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).