3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

C11H19N3O2S2 — CID 55160852

IUPAC3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1nc(CN(C)C2(CN)CCS(=O)(=O)C2)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9-13-10(6-17-9)5-14(2)11(7-12)3-4-18(15,16)8-11/h6H,3-5,7-8,12H2,1-2H3
InChIKeyWOJZLIWNVLDYAB-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.40
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 55160852) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID55160852
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1nc(CN(C)C2(CN)CCS(=O)(=O)C2)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9-13-10(6-17-9)5-14(2)11(7-12)3-4-18(15,16)8-11/h6H,3-5,7-8,12H2,1-2H3
InChIKeyWOJZLIWNVLDYAB-UHFFFAOYSA-N
XLogP0.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
CID 55013447
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 64762742
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841638
N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226175
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
3-(aminomethyl)-N-methyl-N-(2-methylphenyl)-1,1-dioxothiolan-3-amine
CID 63162829
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (CID 55160852) is 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is Cc1nc(CN(C)C2(CN)CCS(=O)(=O)C2)cs1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is WOJZLIWNVLDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-13-10(6-17-9)5-14(2)11(7-12)3-4-18(15,16)8-11/h6H,3-5,7-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 289.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55160852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).