4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane

C9H14AlNS — CID 163887641

IUPAC4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane
SMILES[AlH2]c1nc2c(s1)CCCCCC2
InChIInChI=1S/C9H12NS.Al.2H/c1-2-4-6-9-8(5-3-1)10-7-11-9;;;/h1-6H2;;;
InChIKeyPYUQFDRWRVMKIP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.06
Rot. Bonds

About 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane

4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane (PubChem CID 163887641) has the molecular formula C9H14AlNS and a molecular weight of 195.27 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane
PubChem CID163887641
Molecular FormulaC9H14AlNS
Molecular Weight195.27 g/mol
Exact Mass195.07
IUPAC Name4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane
SMILES[AlH2]c1nc2c(s1)CCCCCC2
InChIInChI=1S/C9H12NS.Al.2H/c1-2-4-6-9-8(5-3-1)10-7-11-9;;;/h1-6H2;;;
InChIKeyPYUQFDRWRVMKIP-UHFFFAOYSA-N
XLogP1.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 112623621
2-bromo-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole
CID 112623648
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
CID 11659373
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde
CID 63518040
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonitrile
CID 83385274
N-cyclopropyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
CID 63471092
cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
CID 61337841
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane?
The IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane (CID 163887641) is 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane.
What is the SMILES notation for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane?
The canonical SMILES for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane is [AlH2]c1nc2c(s1)CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane?
The InChIKey is PYUQFDRWRVMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NS.Al.2H/c1-2-4-6-9-8(5-3-1)10-7-11-9;;;/h1-6H2;;;.
What are the key properties of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane?
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane has a molecular weight of 195.27 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane is sourced from PubChem (CID 163887641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).