1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine

C12H24N4S — CID 43663889

IUPAC1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1csnn1
InChIInChI=1S/C12H24N4S/c1-4-16(5-2)8-6-7-11(3)13-9-12-10-17-15-14-12/h10-11,13H,4-9H2,1-3H3
InChIKeyVSMSAKLYOJMPSH-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.14
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine (PubChem CID 43663889) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine
PubChem CID43663889
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1csnn1
InChIInChI=1S/C12H24N4S/c1-4-16(5-2)8-6-7-11(3)13-9-12-10-17-15-14-12/h10-11,13H,4-9H2,1-3H3
InChIKeyVSMSAKLYOJMPSH-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine (CID 43663889) is 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1csnn1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine?
The InChIKey is VSMSAKLYOJMPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-16(5-2)8-6-7-11(3)13-9-12-10-17-15-14-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine has a molecular weight of 256.42 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(thiadiazol-4-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 43663889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).