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

C12H22N2OS — CID 62456588

IUPACN-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)13-6-11-14-10(8-16-11)7-15-12(3,4)5/h8-9,13H,6-7H2,1-5H3
InChIKeyISTSMPJXZFVLPF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.96
Rot. Bonds5

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

N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62456588) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62456588
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COC(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)13-6-11-14-10(8-16-11)7-15-12(3,4)5/h8-9,13H,6-7H2,1-5H3
InChIKeyISTSMPJXZFVLPF-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443365
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62444643
N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 63966979
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443373
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
N-[[4-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63216732
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 81067747

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62456588) is N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(COC(C)(C)C)cs1.
What is the InChIKey of N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ISTSMPJXZFVLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)13-6-11-14-10(8-16-11)7-15-12(3,4)5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62456588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).