N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine

C9H16N4S2 — CID 62183441

IUPACN-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCSC1
InChIInChI=1S/C9H16N4S2/c1-10-9-8(11-12-15-9)5-13(2)7-3-4-14-6-7/h7,10H,3-6H2,1-2H3
InChIKeyLWXYVZXYBPZAAE-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.52
Rot. Bonds4

About N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine

N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine (PubChem CID 62183441) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
PubChem CID62183441
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC NameN-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCSC1
InChIInChI=1S/C9H16N4S2/c1-10-9-8(11-12-15-9)5-13(2)7-3-4-14-6-7/h7,10H,3-6H2,1-2H3
InChIKeyLWXYVZXYBPZAAE-UHFFFAOYSA-N
XLogP1.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046074
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046189
4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046220
N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
CID 55046324
4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine
CID 55046398
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 55046458
N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55046461
3-[Propan-2-yl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 55046474
4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine
CID 55046497
N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
CID 55046524
4-[[2-methylpropyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046713
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 55116432

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine (CID 62183441) is N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine is CNc1snnc1CN(C)C1CCSC1.
What is the InChIKey of N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The InChIKey is LWXYVZXYBPZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-10-9-8(11-12-15-9)5-13(2)7-3-4-14-6-7/h7,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine has a molecular weight of 244.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62183441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).