10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid

C18H25F5N4O3S — CID 155854976

IUPAC10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)N(C)C)CCC3(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24F2N4OS.C2HF3O2/c1-12-19-13(9-24-12)8-21-6-4-15(10-21)11-22(14(23)20(2)3)7-5-16(15,17)18;3-2(4,5)1(6)7/h9H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeySHAZZBFAMQKGDS-UHFFFAOYSA-N
MW472.48 g/mol
LogP3.30
Rot. Bonds2

About 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid

10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155854976) has the molecular formula C18H25F5N4O3S and a molecular weight of 472.48 g/mol. Its IUPAC name is 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155854976
Molecular FormulaC18H25F5N4O3S
Molecular Weight472.48 g/mol
Exact Mass472.16
IUPAC Name10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)N(C)C)CCC3(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24F2N4OS.C2HF3O2/c1-12-19-13(9-24-12)8-21-6-4-15(10-21)11-22(14(23)20(2)3)7-5-16(15,17)18;3-2(4,5)1(6)7/h9H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeySHAZZBFAMQKGDS-UHFFFAOYSA-N
XLogP3.30
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155854976) is 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCC3(C2)CN(C(=O)N(C)C)CCC3(F)F)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SHAZZBFAMQKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4OS.C2HF3O2/c1-12-19-13(9-24-12)8-21-6-4-15(10-21)11-22(14(23)20(2)3)7-5-16(15,17)18;3-2(4,5)1(6)7/h9H,4-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid?
10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.48 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).