N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine

C11H18N2OS — CID 55135718

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ncc(CNCC2CCCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-9-13-8-11(15-9)7-12-6-10-4-2-3-5-14-10/h8,10,12H,2-7H2,1H3
InChIKeyUIWLBFJRMWCSIV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.11
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 55135718) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID55135718
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ncc(CNCC2CCCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-9-13-8-11(15-9)7-12-6-10-4-2-3-5-14-10/h8,10,12H,2-7H2,1H3
InChIKeyUIWLBFJRMWCSIV-UHFFFAOYSA-N
XLogP2.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine (CID 55135718) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1ncc(CNCC2CCCCO2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is UIWLBFJRMWCSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-13-8-11(15-9)7-12-6-10-4-2-3-5-14-10/h8,10,12H,2-7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 55135718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).