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

C12H20N6OS — CID 43703306

IUPAC4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC(C)c1nncn1C
InChIInChI=1S/C12H20N6OS/c1-8(10-16-14-7-18(10)4)13-6-9-11(19-5)15-12(20-9)17(2)3/h7-8,13H,6H2,1-5H3
InChIKeyQBNFZWSENBRGHD-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.20
Rot. Bonds6

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

4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 43703306) has the molecular formula C12H20N6OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID43703306
Molecular FormulaC12H20N6OS
Molecular Weight296.40 g/mol
Exact Mass296.14
IUPAC Name4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC(C)c1nncn1C
InChIInChI=1S/C12H20N6OS/c1-8(10-16-14-7-18(10)4)13-6-9-11(19-5)15-12(20-9)17(2)3/h7-8,13H,6H2,1-5H3
InChIKeyQBNFZWSENBRGHD-UHFFFAOYSA-N
XLogP1.20
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 106209370
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-pyrazol-1-ylpropan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43749414
4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43746141
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
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272
methyl 2-[5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82893986
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine (CID 43703306) is 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNC(C)c1nncn1C.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is QBNFZWSENBRGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6OS/c1-8(10-16-14-7-18(10)4)13-6-9-11(19-5)15-12(20-9)17(2)3/h7-8,13H,6H2,1-5H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43703306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).