5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine

C13H25N5S — CID 153383652

IUPAC5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCCNc1nnc(N(C)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C13H25N5S/c1-5-14-12-15-16-13(19-12)17(4)11-6-8-18(9-7-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyDJPZFPYPSPKPHS-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.28
Rot. Bonds5

About 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine

5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 153383652) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID153383652
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCCNc1nnc(N(C)C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C13H25N5S/c1-5-14-12-15-16-13(19-12)17(4)11-6-8-18(9-7-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyDJPZFPYPSPKPHS-UHFFFAOYSA-N
XLogP2.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine (CID 153383652) is 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine is CCNc1nnc(N(C)C2CCN(C(C)C)CC2)s1.
What is the InChIKey of 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is DJPZFPYPSPKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-5-14-12-15-16-13(19-12)17(4)11-6-8-18(9-7-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 283.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 153383652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).