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

C12H21N3O3S2 — CID 63923894

IUPAC5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O3S2/c1-15(2)12-14-11(18-3)10(19-12)7-13-9-5-4-6-20(16,17)8-9/h9,13H,4-8H2,1-3H3
InChIKeyCAAZZEDAMAWGGP-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.88
Rot. Bonds5

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

5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 63923894) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID63923894
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O3S2/c1-15(2)12-14-11(18-3)10(19-12)7-13-9-5-4-6-20(16,17)8-9/h9,13H,4-8H2,1-3H3
InChIKeyCAAZZEDAMAWGGP-UHFFFAOYSA-N
XLogP0.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 62319971
4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one
CID 106183182
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 81388637
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
N-[(3-methylthiophen-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922527
[1-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
CID 62520799
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63924723
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 63923894) is 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNC1CCCS(=O)(=O)C1.
What is the InChIKey of 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is CAAZZEDAMAWGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-15(2)12-14-11(18-3)10(19-12)7-13-9-5-4-6-20(16,17)8-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 319.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63923894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).