4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

C12H22N2OS — CID 61331519

IUPAC4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-9-7-16-10(14-9)12(4,13-5)8-11(2,3)15-6/h7,13H,8H2,1-6H3
InChIKeyUTPSXPREKXXBMM-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.70
Rot. Bonds5

About 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 61331519) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID61331519
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)c1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-9-7-16-10(14-9)12(4,13-5)8-11(2,3)15-6/h7,13H,8H2,1-6H3
InChIKeyUTPSXPREKXXBMM-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
CID 52988778
1-methoxy-N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62536660
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384873
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
CID 119892016

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (CID 61331519) is 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is CNC(C)(CC(C)(C)OC)c1nc(C)cs1.
What is the InChIKey of 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is UTPSXPREKXXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-7-16-10(14-9)12(4,13-5)8-11(2,3)15-6/h7,13H,8H2,1-6H3.
What are the key properties of 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 61331519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).