4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine

C12H19N5OS — CID 106209370

IUPAC4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC(C)c1cn[nH]c1
InChIInChI=1S/C12H19N5OS/c1-8(9-5-14-15-6-9)13-7-10-11(18-4)16-12(19-10)17(2)3/h5-6,8,13H,7H2,1-4H3,(H,14,15)
InChIKeyAAUKGNWHPNKIDS-UHFFFAOYSA-N
MW281.39 g/mol
LogP1.79
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 106209370) has the molecular formula C12H19N5OS and a molecular weight of 281.39 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID106209370
Molecular FormulaC12H19N5OS
Molecular Weight281.39 g/mol
Exact Mass281.13
IUPAC Name4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC(C)c1cn[nH]c1
InChIInChI=1S/C12H19N5OS/c1-8(9-5-14-15-6-9)13-7-10-11(18-4)16-12(19-10)17(2)3/h5-6,8,13H,7H2,1-4H3,(H,14,15)
InChIKeyAAUKGNWHPNKIDS-UHFFFAOYSA-N
XLogP1.79
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
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-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43703306
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-[(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-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854906
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine (CID 106209370) is 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNC(C)c1cn[nH]c1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is AAUKGNWHPNKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-8(9-5-14-15-6-9)13-7-10-11(18-4)16-12(19-10)17(2)3/h5-6,8,13H,7H2,1-4H3,(H,14,15).
What are the key properties of 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 281.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106209370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).