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

C11H18N2OS — CID 115757938

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
SMILESCc1nc(CNC2(C)CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-10(8-15-9)7-12-11(2)3-5-14-6-4-11/h8,12H,3-7H2,1-2H3
InChIKeyDEULMSWALGFPEJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.11
Rot. Bonds3

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine (PubChem CID 115757938) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
PubChem CID115757938
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
SMILESCc1nc(CNC2(C)CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-13-10(8-15-9)7-12-11(2)3-5-14-6-4-11/h8,12H,3-7H2,1-2H3
InChIKeyDEULMSWALGFPEJ-UHFFFAOYSA-N
XLogP2.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
CID 115758035
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
4-methyl-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 115757945
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66380830
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine (CID 115757938) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine is Cc1nc(CNC2(C)CCOCC2)cs1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine?
The InChIKey is DEULMSWALGFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-13-10(8-15-9)7-12-11(2)3-5-14-6-4-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115757938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).