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

C11H18N2OS — CID 62351926

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1nc(CNCC2CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-12-6-10-2-4-14-5-3-10/h8,10,12H,2-7H2,1H3
InChIKeyQYUFEZUWKUYQBY-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62351926) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID62351926
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1nc(CNCC2CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-12-6-10-2-4-14-5-3-10/h8,10,12H,2-7H2,1H3
InChIKeyQYUFEZUWKUYQBY-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
[1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 53528553
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 72140697
4-[[(2-Ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
CID 75378282
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CID 97511439
4-(4-Methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61331850
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 103151289
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103151335
2,2,2-trifluoro-N-[[2-(oxolan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116003819
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
CID 126857072
4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]oxan-3-amine
CID 138047163

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine (CID 62351926) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine is Cc1nc(CNCC2CCOCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is QYUFEZUWKUYQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-13-11(8-15-9)7-12-6-10-2-4-14-5-3-10/h8,10,12H,2-7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.97, 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-4-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62351926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).