3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine

C12H23N5S — CID 122560491

IUPAC3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N(C)C)ns1)C1CCN(C)CC1
InChIInChI=1S/C12H23N5S/c1-9(10-5-7-17(4)8-6-10)13-12-14-11(15-18-12)16(2)3/h9-10H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyWICDVJIRJAWVMO-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.75
Rot. Bonds4

About 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine

3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 122560491) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID122560491
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N(C)C)ns1)C1CCN(C)CC1
InChIInChI=1S/C12H23N5S/c1-9(10-5-7-17(4)8-6-10)13-12-14-11(15-18-12)16(2)3/h9-10H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyWICDVJIRJAWVMO-UHFFFAOYSA-N
XLogP1.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 122560491) is 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine is CC(Nc1nc(N(C)C)ns1)C1CCN(C)CC1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is WICDVJIRJAWVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-9(10-5-7-17(4)8-6-10)13-12-14-11(15-18-12)16(2)3/h9-10H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 269.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-[1-(1-methylpiperidin-4-yl)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 122560491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).