4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde

C14H21NOS — CID 63518040

IUPAC4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C14H21NOS/c16-11-14-15-12-9-7-5-3-1-2-4-6-8-10-13(12)17-14/h11H,1-10H2
InChIKeyNJGPUWJYOFDFJO-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.18
Rot. Bonds1

About 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde

4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde (PubChem CID 63518040) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde
PubChem CID63518040
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C14H21NOS/c16-11-14-15-12-9-7-5-3-1-2-4-6-8-10-13(12)17-14/h11H,1-10H2
InChIKeyNJGPUWJYOFDFJO-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde 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
N-ethenyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine;sulfane
CID 143290602
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane
CID 163887641
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
CID 11659373
5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde
CID 89468133
6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 62927739
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)formamide
CID 64991335
2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
CID 167745753
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
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde (CID 63518040) is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde is O=Cc1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde?
The InChIKey is NJGPUWJYOFDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-11-14-15-12-9-7-5-3-1-2-4-6-8-10-13(12)17-14/h11H,1-10H2.
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde?
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde has a molecular weight of 251.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 63518040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).