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

C15H21F3N2OS — CID 942221

IUPACN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2c(s1)CCCCCCCCCC2)C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c16-15(17,18)13(21)20-14-19-11-9-7-5-3-1-2-4-6-8-10-12(11)22-14/h1-10H2,(H,19,20,21)
InChIKeyRWRVWYBUAZYCTE-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.86
Rot. Bonds1

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

N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 942221) has the molecular formula C15H21F3N2OS and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID942221
Molecular FormulaC15H21F3N2OS
Molecular Weight334.41 g/mol
Exact Mass334.13
IUPAC NameN-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2c(s1)CCCCCCCCCC2)C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c16-15(17,18)13(21)20-14-19-11-9-7-5-3-1-2-4-6-8-10-12(11)22-14/h1-10H2,(H,19,20,21)
InChIKeyRWRVWYBUAZYCTE-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.86
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)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 942221) is N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nc2c(s1)CCCCCCCCCC2)C(F)(F)F.
What is the InChIKey of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is RWRVWYBUAZYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2OS/c16-15(17,18)13(21)20-14-19-11-9-7-5-3-1-2-4-6-8-10-12(11)22-14/h1-10H2,(H,19,20,21).
What are the key properties of N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 334.41 g/mol, XLogP of 4.86, 1 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)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 942221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).