N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H22N2O2S — CID 65352027

IUPACN-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2COCCO2)sc1CNCC(C)C
InChIInChI=1S/C13H22N2O2S/c1-9(2)6-14-7-12-10(3)15-13(18-12)11-8-16-4-5-17-11/h9,11,14H,4-8H2,1-3H3
InChIKeyRPJICMBTDROPTI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.29
Rot. Bonds5

About N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65352027) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65352027
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2COCCO2)sc1CNCC(C)C
InChIInChI=1S/C13H22N2O2S/c1-9(2)6-14-7-12-10(3)15-13(18-12)11-8-16-4-5-17-11/h9,11,14H,4-8H2,1-3H3
InChIKeyRPJICMBTDROPTI-UHFFFAOYSA-N
XLogP2.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65352078
N-[[2-(3-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767997
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62769119
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66369862
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65351420
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 78944233

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65352027) is N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(C2COCCO2)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RPJICMBTDROPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)6-14-7-12-10(3)15-13(18-12)11-8-16-4-5-17-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65352027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).