5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

C8H16N4S — CID 66279899

IUPAC5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CC(C)(C)C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-8(2,3)5-12(4)7-10-6(9)11-13-7/h5H2,1-4H3,(H2,9,11)
InChIKeyOGBVDLMNMRNHHD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.60
Rot. Bonds2

About 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279899) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279899
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CC(C)(C)C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-8(2,3)5-12(4)7-10-6(9)11-13-7/h5H2,1-4H3,(H2,9,11)
InChIKeyOGBVDLMNMRNHHD-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768170
5-N,5-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 66280567
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66278795
1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149684
5-N-methyl-5-N-(4-methylcyclohexyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280113
2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
CID 66280128
5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 82952969
2-[(2-amino-2-oxoethyl)-(3-amino-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 66280993
1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62751156
2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765133
5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine
CID 82411773

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 66279899) is 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is CN(CC(C)(C)C)c1nc(N)ns1.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is OGBVDLMNMRNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-8(2,3)5-12(4)7-10-6(9)11-13-7/h5H2,1-4H3,(H2,9,11).
What are the key properties of 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).