2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide

C20H24N6OS — CID 167282023

IUPAC2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1=CCCC=C1)Nc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C20H24N6OS/c27-18(13-14-5-2-1-3-6-14)23-20-26-25-19(28-20)22-16-10-8-15(9-11-16)17-7-4-12-21-24-17/h2,4-7,12,15-16H,1,3,8-11,13H2,(H,22,25)(H,23,26,27)
InChIKeyKYOGRPMJPXXTRN-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide

2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 167282023) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID167282023
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1=CCCC=C1)Nc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C20H24N6OS/c27-18(13-14-5-2-1-3-6-14)23-20-26-25-19(28-20)22-16-10-8-15(9-11-16)17-7-4-12-21-24-17/h2,4-7,12,15-16H,1,3,8-11,13H2,(H,22,25)(H,23,26,27)
InChIKeyKYOGRPMJPXXTRN-UHFFFAOYSA-N
XLogP4.07
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide 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 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide (CID 167282023) is 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide is O=C(CC1=CCCC=C1)Nc1nnc(NC2CCC(c3cccnn3)CC2)s1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KYOGRPMJPXXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c27-18(13-14-5-2-1-3-6-14)23-20-26-25-19(28-20)22-16-10-8-15(9-11-16)17-7-4-12-21-24-17/h2,4-7,12,15-16H,1,3,8-11,13H2,(H,22,25)(H,23,26,27).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?
2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 167282023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).