N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

C16H26N4O2S — CID 131647806

IUPACN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-15(21)20-6-7-22-12-16(11-20)3-5-19(10-16)9-14-17-4-8-23-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,18,21)
InChIKeyFZNNLUAUJXLSJX-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.79
Rot. Bonds3

About N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 131647806) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID131647806
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-13(2)18-15(21)20-6-7-22-12-16(11-20)3-5-19(10-16)9-14-17-4-8-23-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,18,21)
InChIKeyFZNNLUAUJXLSJX-UHFFFAOYSA-N
XLogP1.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (CID 131647806) is N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is CC(C)NC(=O)N1CCOCC2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is FZNNLUAUJXLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(2)18-15(21)20-6-7-22-12-16(11-20)3-5-19(10-16)9-14-17-4-8-23-14/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 131647806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).