3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen

C7H16N4S — CID 167490841

IUPAC3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
SMILESCC(C)Nc1nc(N(C)C)ns1.[H][H]
InChIInChI=1S/C7H14N4S.H2/c1-5(2)8-7-9-6(10-12-7)11(3)4;/h5H,1-4H3,(H,8,9,10);1H
InChIKeyLDQOQCNJSBIZNO-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.67
Rot. Bonds3

About 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen

3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen (PubChem CID 167490841) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
PubChem CID167490841
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
SMILESCC(C)Nc1nc(N(C)C)ns1.[H][H]
InChIInChI=1S/C7H14N4S.H2/c1-5(2)8-7-9-6(10-12-7)11(3)4;/h5H,1-4H3,(H,8,9,10);1H
InChIKeyLDQOQCNJSBIZNO-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen 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

3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 126976305
5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 127011518
3-N,3-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 321851
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 10489552
5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine
CID 58336946
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The IUPAC name of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen (CID 167490841) is 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen is CC(C)Nc1nc(N(C)C)ns1.[H][H].
What is the InChIKey of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The InChIKey is LDQOQCNJSBIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S.H2/c1-5(2)8-7-9-6(10-12-7)11(3)4;/h5H,1-4H3,(H,8,9,10);1H.
What are the key properties of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen has a molecular weight of 188.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen is sourced from PubChem (CID 167490841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).