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

C12H20N2OS — CID 103910333

IUPAC2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
SMILESCc1nc(CCNC2CCOC(C)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9-7-11(4-6-15-9)13-5-3-12-8-16-10(2)14-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyRSIFQSFUPDQEER-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.15
Rot. Bonds4

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

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine (PubChem CID 103910333) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
PubChem CID103910333
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
SMILESCc1nc(CCNC2CCOC(C)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9-7-11(4-6-15-9)13-5-3-12-8-16-10(2)14-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyRSIFQSFUPDQEER-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976397
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine (CID 103910333) is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine is Cc1nc(CCNC2CCOC(C)C2)cs1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is RSIFQSFUPDQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-7-11(4-6-15-9)13-5-3-12-8-16-10(2)14-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine?
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 240.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 103910333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).