N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid

C18H26F3N3O4S — CID 155850059

IUPACN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CN(Cc2nccs2)CC12CCOCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16;3-2(4,5)1(6)7/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20);(H,6,7)
InChIKeyNFWPXOHYPYJZAP-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.53
Rot. Bonds4

About N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid

N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850059) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850059
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC NameN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1CN(Cc2nccs2)CC12CCOCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16;3-2(4,5)1(6)7/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20);(H,6,7)
InChIKeyNFWPXOHYPYJZAP-UHFFFAOYSA-N
XLogP2.53
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155850059) is N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)C1CN(Cc2nccs2)CC12CCOCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NFWPXOHYPYJZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S.C2HF3O2/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16;3-2(4,5)1(6)7/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20);(H,6,7).
What are the key properties of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid?
N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 437.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).