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

C12H22N2OS — CID 115729314

IUPAC1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-5-15-7-10(4)13-6-12-14-11(8-16-12)9(2)3/h8-10,13H,5-7H2,1-4H3
InChIKeyGSBNZOKMCDMHAC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.78
Rot. Bonds7

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

1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 115729314) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID115729314
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-5-15-7-10(4)13-6-12-14-11(8-16-12)9(2)3/h8-10,13H,5-7H2,1-4H3
InChIKeyGSBNZOKMCDMHAC-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115757174
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
CID 79420004
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115703292
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110440600
2-[[(3-ethoxypropylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110047862
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole
CID 57106322

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 115729314) is 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCOCC(C)NCc1nc(C(C)C)cs1.
What is the InChIKey of 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is GSBNZOKMCDMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-15-7-10(4)13-6-12-14-11(8-16-12)9(2)3/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115729314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).