N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C13H22N2OS — CID 113348796

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2(C)CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(12-8-17-11(2)15-12)14-9-13(3)4-6-16-7-5-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyGIRJNBLPMZPTFN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 113348796) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID113348796
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2(C)CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(12-8-17-11(2)15-12)14-9-13(3)4-6-16-7-5-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyGIRJNBLPMZPTFN-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-Ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
CID 75378282
2-[4-[(4-Tert-butyl-1,3-thiazol-2-yl)methylamino]oxan-4-yl]ethanol
CID 75433706
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95227400
N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)methanesulfonamide
CID 97574872
4-cyano-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]oxane-4-carboxamide
CID 164642265
3-[3-(4-Tert-butyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 116011191
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
CID 126857072
N-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332503
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-(2-methoxyethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43669991
1-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 43670023
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43670114

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 113348796) is N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCC2(C)CCOCC2)cs1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is GIRJNBLPMZPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(12-8-17-11(2)15-12)14-9-13(3)4-6-16-7-5-13/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 113348796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).