N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide

C16H26N2OS — CID 894101

IUPACN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H26N2OS/c1-2-15(19)18-16-17-13-11-9-7-5-3-4-6-8-10-12-14(13)20-16/h2-12H2,1H3,(H,17,18,19)
InChIKeyFOQMPTLMORXYOF-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.71
Rot. Bonds2

About N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide

N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide (PubChem CID 894101) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide
PubChem CID894101
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H26N2OS/c1-2-15(19)18-16-17-13-11-9-7-5-3-4-6-8-10-12-14(13)20-16/h2-12H2,1H3,(H,17,18,19)
InChIKeyFOQMPTLMORXYOF-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide (CID 894101) is N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide is CCC(=O)Nc1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is FOQMPTLMORXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-15(19)18-16-17-13-11-9-7-5-3-4-6-8-10-12-14(13)20-16/h2-12H2,1H3,(H,17,18,19).
What are the key properties of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide?
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 294.46 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 894101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).