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

C7H14N4S — CID 65269163

IUPAC3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)Nc1nc(N(C)C)ns1
InChIInChI=1S/C7H14N4S/c1-5(2)8-7-9-6(10-12-7)11(3)4/h5H,1-4H3,(H,8,9,10)
InChIKeyDPCJAERVFINQHC-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.42
Rot. Bonds3

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

3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 65269163) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID65269163
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)Nc1nc(N(C)C)ns1
InChIInChI=1S/C7H14N4S/c1-5(2)8-7-9-6(10-12-7)11(3)4/h5H,1-4H3,(H,8,9,10)
InChIKeyDPCJAERVFINQHC-UHFFFAOYSA-N
XLogP1.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine (CID 65269163) is 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine is CC(C)Nc1nc(N(C)C)ns1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DPCJAERVFINQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-5(2)8-7-9-6(10-12-7)11(3)4/h5H,1-4H3,(H,8,9,10).
What are the key properties of 3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 186.28 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 65269163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).