2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C12H24N4OS — CID 82945684

IUPAC2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNC(C)CN(C)C
InChIInChI=1S/C12H24N4OS/c1-9(8-15(2)3)13-7-10-11(17-6)14-12(18-10)16(4)5/h9,13H,7-8H2,1-6H3
InChIKeyYEQDAVFLYHTHAR-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.26
Rot. Bonds7

About 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945684) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945684
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNC(C)CN(C)C
InChIInChI=1S/C12H24N4OS/c1-9(8-15(2)3)13-7-10-11(17-6)14-12(18-10)16(4)5/h9,13H,7-8H2,1-6H3
InChIKeyYEQDAVFLYHTHAR-UHFFFAOYSA-N
XLogP1.26
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43746141
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
4-methoxy-N,N-dimethyl-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43749414
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 81388637
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 106209370
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43703306
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43665203

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945684) is 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1nc(N(C)C)sc1CNC(C)CN(C)C.
What is the InChIKey of 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is YEQDAVFLYHTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-9(8-15(2)3)13-7-10-11(17-6)14-12(18-10)16(4)5/h9,13H,7-8H2,1-6H3.
What are the key properties of 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 272.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).