4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine

C11H19N3O2S2 — CID 55013447

IUPAC4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
SMILESCN(Cc1cscn1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C11H19N3O2S2/c1-14(6-10-7-17-9-13-10)11(8-12)2-4-18(15,16)5-3-11/h7,9H,2-6,8,12H2,1H3
InChIKeyWWGAHASUFQBIFJ-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.48
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine

4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine (PubChem CID 55013447) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
PubChem CID55013447
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
SMILESCN(Cc1cscn1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C11H19N3O2S2/c1-14(6-10-7-17-9-13-10)11(8-12)2-4-18(15,16)5-3-11/h7,9H,2-6,8,12H2,1H3
InChIKeyWWGAHASUFQBIFJ-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
CID 65075665
1-(aminomethyl)-3-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 106821948
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 64624835
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 55160852
N'-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694302
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55013908
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
CID 114818042

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine (CID 55013447) is 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine is CN(Cc1cscn1)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine?
The InChIKey is WWGAHASUFQBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-14(6-10-7-17-9-13-10)11(8-12)2-4-18(15,16)5-3-11/h7,9H,2-6,8,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine?
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine has a molecular weight of 289.43 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine is sourced from PubChem (CID 55013447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).