4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine

C18H19N5S2 — CID 50940732

IUPAC4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1cc(Nc2ccc(NC3=NCCS3)cc2)ccc1NC1=NCCS1
InChIInChI=1S/C18H19N5S2/c1-5-15(22-17-19-9-11-24-17)6-2-13(1)21-14-3-7-16(8-4-14)23-18-20-10-12-25-18/h1-8,21H,9-12H2,(H,19,22)(H,20,23)
InChIKeyYXEAMDHIVHJRIU-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.46
Rot. Bonds4

About 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine

4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine (PubChem CID 50940732) has the molecular formula C18H19N5S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine
PubChem CID50940732
Molecular FormulaC18H19N5S2
Molecular Weight369.52 g/mol
Exact Mass369.11
IUPAC Name4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1cc(Nc2ccc(NC3=NCCS3)cc2)ccc1NC1=NCCS1
InChIInChI=1S/C18H19N5S2/c1-5-15(22-17-19-9-11-24-17)6-2-13(1)21-14-3-7-16(8-4-14)23-18-20-10-12-25-18/h1-8,21H,9-12H2,(H,19,22)(H,20,23)
InChIKeyYXEAMDHIVHJRIU-UHFFFAOYSA-N
XLogP4.46
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-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 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine (CID 50940732) is 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine is c1cc(Nc2ccc(NC3=NCCS3)cc2)ccc1NC1=NCCS1.
What is the InChIKey of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine?
The InChIKey is YXEAMDHIVHJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S2/c1-5-15(22-17-19-9-11-24-17)6-2-13(1)21-14-3-7-16(8-4-14)23-18-20-10-12-25-18/h1-8,21H,9-12H2,(H,19,22)(H,20,23).
What are the key properties of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine?
4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine has a molecular weight of 369.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 50940732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).