2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide

C12H22N4O2S — CID 43665262

IUPAC2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C12H22N4O2S/c1-5-6-14-10(17)8-13-7-9-11(18-4)15-12(19-9)16(2)3/h13H,5-8H2,1-4H3,(H,14,17)
InChIKeyLXVLEKDVSDRZMU-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.83
Rot. Bonds8

About 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide

2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide (PubChem CID 43665262) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
PubChem CID43665262
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C12H22N4O2S/c1-5-6-14-10(17)8-13-7-9-11(18-4)15-12(19-9)16(2)3/h13H,5-8H2,1-4H3,(H,14,17)
InChIKeyLXVLEKDVSDRZMU-UHFFFAOYSA-N
XLogP0.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
CID 106275758
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine
CID 79341219
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43665203
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684
4-methoxy-N,N-dimethyl-5-[[(3-methylphenyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43433391
[1-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
CID 62520799
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide (CID 43665262) is 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1sc(N(C)C)nc1OC.
What is the InChIKey of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The InChIKey is LXVLEKDVSDRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-14-10(17)8-13-7-9-11(18-4)15-12(19-9)16(2)3/h13H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide has a molecular weight of 286.40 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide is sourced from PubChem (CID 43665262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).