4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine

C6H12N4S — CID 62183924

IUPAC4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C
InChIInChI=1S/C6H12N4S/c1-7-6-5(4-10(2)3)8-9-11-6/h7H,4H2,1-3H3
InChIKeyMCWYWUIGYGIYCR-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.64
Rot. Bonds3

About 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine

4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62183924) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine
PubChem CID62183924
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C
InChIInChI=1S/C6H12N4S/c1-7-6-5(4-10(2)3)8-9-11-6/h7H,4H2,1-3H3
InChIKeyMCWYWUIGYGIYCR-UHFFFAOYSA-N
XLogP0.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide
CID 2771457
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182960
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine (CID 62183924) is 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is MCWYWUIGYGIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-7-6-5(4-10(2)3)8-9-11-6/h7H,4H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine?
4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 172.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62183924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).