5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine

C11H23N5S — CID 66278324

IUPAC5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(N)ns1
InChIInChI=1S/C11H23N5S/c1-4-16(5-2)8-6-7-9(3)13-11-14-10(12)15-17-11/h9H,4-8H2,1-3H3,(H3,12,13,14,15)
InChIKeyLBASCVMBRJNALA-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.04
Rot. Bonds8

About 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine

5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278324) has the molecular formula C11H23N5S and a molecular weight of 257.41 g/mol. Its IUPAC name is 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278324
Molecular FormulaC11H23N5S
Molecular Weight257.41 g/mol
Exact Mass257.17
IUPAC Name5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(N)ns1
InChIInChI=1S/C11H23N5S/c1-4-16(5-2)8-6-7-9(3)13-11-14-10(12)15-17-11/h9H,4-8H2,1-3H3,(H3,12,13,14,15)
InChIKeyLBASCVMBRJNALA-UHFFFAOYSA-N
XLogP2.04
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine (CID 66278324) is 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine is CCN(CC)CCCC(C)Nc1nc(N)ns1.
What is the InChIKey of 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is LBASCVMBRJNALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5S/c1-4-16(5-2)8-6-7-9(3)13-11-14-10(12)15-17-11/h9H,4-8H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 257.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-(diethylamino)pentan-2-yl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).