N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine

C22H38N8S4 — CID 5077208

IUPACN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCC1CN=C(NCCN(CCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C22H38N8S4/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyKBPVXXHTEMHDGY-UHFFFAOYSA-N
MW542.87 g/mol
LogP2.73
Rot. Bonds9

About N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine

N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 5077208) has the molecular formula C22H38N8S4 and a molecular weight of 542.87 g/mol. Its IUPAC name is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID5077208
Molecular FormulaC22H38N8S4
Molecular Weight542.87 g/mol
Exact Mass542.21
IUPAC NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCC1CN=C(NCCN(CCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C22H38N8S4/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyKBPVXXHTEMHDGY-UHFFFAOYSA-N
XLogP2.73
TPSA79.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.87
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-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 N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine (CID 5077208) is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine is CC1CN=C(NCCN(CCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1.
What is the InChIKey of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is KBPVXXHTEMHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8S4/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine?
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 542.87 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 5077208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).