(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C17H25N3O2S — CID 97375295

IUPAC(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C17H25N3O2S/c21-16(19-9-13-1-2-13)14-10-20(11-15-18-5-8-23-15)12-17(14)3-6-22-7-4-17/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,21)/t14-/m1/s1
InChIKeyKCEYDQYZJDPUOT-CQSZACIVSA-N
MW335.47 g/mol
LogP1.90
Rot. Bonds5

About (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97375295) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID97375295
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C17H25N3O2S/c21-16(19-9-13-1-2-13)14-10-20(11-15-18-5-8-23-15)12-17(14)3-6-22-7-4-17/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,21)/t14-/m1/s1
InChIKeyKCEYDQYZJDPUOT-CQSZACIVSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97375295) is (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCC1CC1)[C@H]1CN(Cc2nccs2)CC12CCOCC2.
What is the InChIKey of (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is KCEYDQYZJDPUOT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(19-9-13-1-2-13)14-10-20(11-15-18-5-8-23-15)12-17(14)3-6-22-7-4-17/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97375295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).