(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C17H28N4O2S — CID 97492393

IUPAC(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1nc(CN2CCC[C@@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1
InChIInChI=1S/C17H28N4O2S/c1-13(2)18-16(22)21-7-8-23-17(12-21)5-4-6-20(11-17)9-15-10-24-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3,(H,18,22)/t17-/m1/s1
InChIKeyTZSCEFGDUNFSLO-QGZVFWFLSA-N
MW352.50 g/mol
LogP2.24
Rot. Bonds3

About (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 97492393) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID97492393
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1nc(CN2CCC[C@@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1
InChIInChI=1S/C17H28N4O2S/c1-13(2)18-16(22)21-7-8-23-17(12-21)5-4-6-20(11-17)9-15-10-24-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3,(H,18,22)/t17-/m1/s1
InChIKeyTZSCEFGDUNFSLO-QGZVFWFLSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 97492393) is (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is Cc1nc(CN2CCC[C@@]3(C2)CN(C(=O)NC(C)C)CCO3)cs1.
What is the InChIKey of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is TZSCEFGDUNFSLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(2)18-16(22)21-7-8-23-17(12-21)5-4-6-20(11-17)9-15-10-24-14(3)19-15/h10,13H,4-9,11-12H2,1-3H3,(H,18,22)/t17-/m1/s1.
What are the key properties of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 97492393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).