4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine

C16H20N6OS — CID 58285420

IUPAC4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc(-c2cnc3sc(NC4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C16H20N6OS/c1-23-14-7-2-10(8-18-14)13-9-19-16-22(13)21-15(24-16)20-12-5-3-11(17)4-6-12/h2,7-9,11-12H,3-6,17H2,1H3,(H,20,21)
InChIKeyBWVVWIPMDANYOZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.54
Rot. Bonds4

About 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine

4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine (PubChem CID 58285420) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine
PubChem CID58285420
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine
SMILESCOc1ccc(-c2cnc3sc(NC4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C16H20N6OS/c1-23-14-7-2-10(8-18-14)13-9-19-16-22(13)21-15(24-16)20-12-5-3-11(17)4-6-12/h2,7-9,11-12H,3-6,17H2,1H3,(H,20,21)
InChIKeyBWVVWIPMDANYOZ-UHFFFAOYSA-N
XLogP2.54
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-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-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine (CID 58285420) is 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine is COc1ccc(-c2cnc3sc(NC4CCC(N)CC4)nn23)cn1.
What is the InChIKey of 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine?
The InChIKey is BWVVWIPMDANYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-23-14-7-2-10(8-18-14)13-9-19-16-22(13)21-15(24-16)20-12-5-3-11(17)4-6-12/h2,7-9,11-12H,3-6,17H2,1H3,(H,20,21).
What are the key properties of 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine?
4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine has a molecular weight of 344.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 58285420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).