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

C13H21ClN2OS — CID 107125994

IUPACN-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1ncc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-13(2,3)16-7-9-5-4-6-17-11(9)12-15-8-10(14)18-12/h8-9,11,16H,4-7H2,1-3H3
InChIKeyYZROIHUWMWHKGY-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.65
Rot. Bonds3

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

N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107125994) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107125994
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1ncc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-13(2,3)16-7-9-5-4-6-17-11(9)12-15-8-10(14)18-12/h8-9,11,16H,4-7H2,1-3H3
InChIKeyYZROIHUWMWHKGY-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365299
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79364659
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79371163
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81025130
N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
CID 104772230
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368179
N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104819146
2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 104878566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 107125994) is N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCOC1c1ncc(Cl)s1.
What is the InChIKey of N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YZROIHUWMWHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-13(2,3)16-7-9-5-4-6-17-11(9)12-15-8-10(14)18-12/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107125994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).