2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C15H26N2O2S — CID 62486890

IUPAC2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCC2CCOCC2)cs1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)16-8-14-17-13(11-20-14)10-19-9-12-4-6-18-7-5-12/h11-12,16H,4-10H2,1-3H3
InChIKeyBURZWKZJYHNJDU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.97
Rot. Bonds6

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

2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62486890) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62486890
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCC2CCOCC2)cs1
InChIInChI=1S/C15H26N2O2S/c1-15(2,3)16-8-14-17-13(11-20-14)10-19-9-12-4-6-18-7-5-12/h11-12,16H,4-10H2,1-3H3
InChIKeyBURZWKZJYHNJDU-UHFFFAOYSA-N
XLogP2.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63571274
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114342496
2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 103285606
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62486890) is 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nc(COCC2CCOCC2)cs1.
What is the InChIKey of 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is BURZWKZJYHNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,3)16-8-14-17-13(11-20-14)10-19-9-12-4-6-18-7-5-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 298.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62486890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).