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

C13H22N2S — CID 950890

IUPAC4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C13H22N2S/c14-13-15-11-9-7-5-3-1-2-4-6-8-10-12(11)16-13/h1-10H2,(H2,14,15)
InChIKeyWMOHSPSQAUUNFP-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.94
Rot. Bonds

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

4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine (PubChem CID 950890) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
PubChem CID950890
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C13H22N2S/c14-13-15-11-9-7-5-3-1-2-4-6-8-10-12(11)16-13/h1-10H2,(H2,14,15)
InChIKeyWMOHSPSQAUUNFP-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine (CID 950890) is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine is Nc1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The InChIKey is WMOHSPSQAUUNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c14-13-15-11-9-7-5-3-1-2-4-6-8-10-12(11)16-13/h1-10H2,(H2,14,15).
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 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]thiazol-2-amine is sourced from PubChem (CID 950890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).