1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine

C12H22N2OS — CID 116502415

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine
SMILESCCc1nc(C(NC)C(C)COC)sc1C
InChIInChI=1S/C12H22N2OS/c1-6-10-9(3)16-12(14-10)11(13-4)8(2)7-15-5/h8,11,13H,6-7H2,1-5H3
InChIKeyLBQHMTVFYDNTBK-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 116502415) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine
PubChem CID116502415
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine
SMILESCCc1nc(C(NC)C(C)COC)sc1C
InChIInChI=1S/C12H22N2OS/c1-6-10-9(3)16-12(14-10)11(13-4)8(2)7-15-5/h8,11,13H,6-7H2,1-5H3
InChIKeyLBQHMTVFYDNTBK-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine (CID 116502415) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine is CCc1nc(C(NC)C(C)COC)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is LBQHMTVFYDNTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-10-9(3)16-12(14-10)11(13-4)8(2)7-15-5/h8,11,13H,6-7H2,1-5H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116502415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).