N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine

C20H21N7S2 — CID 46934976

IUPACN-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(Nc3ccccc3-c3nnc(NCC)s3)cc2)s1
InChIInChI=1S/C20H21N7S2/c1-3-21-19-26-24-17(28-19)13-9-11-14(12-10-13)23-16-8-6-5-7-15(16)18-25-27-20(29-18)22-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyBCKZDJJJRHCCIG-UHFFFAOYSA-N
MW423.57 g/mol
LogP5.33
Rot. Bonds8

About N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 46934976) has the molecular formula C20H21N7S2 and a molecular weight of 423.57 g/mol. Its IUPAC name is N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID46934976
Molecular FormulaC20H21N7S2
Molecular Weight423.57 g/mol
Exact Mass423.13
IUPAC NameN-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(Nc3ccccc3-c3nnc(NCC)s3)cc2)s1
InChIInChI=1S/C20H21N7S2/c1-3-21-19-26-24-17(28-19)13-9-11-14(12-10-13)23-16-8-6-5-7-15(16)18-25-27-20(29-18)22-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyBCKZDJJJRHCCIG-UHFFFAOYSA-N
XLogP5.33
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.57
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine 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 N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine (CID 46934976) is N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc(Nc3ccccc3-c3nnc(NCC)s3)cc2)s1.
What is the InChIKey of N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BCKZDJJJRHCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S2/c1-3-21-19-26-24-17(28-19)13-9-11-14(12-10-13)23-16-8-6-5-7-15(16)18-25-27-20(29-18)22-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 423.57 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46934976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).