(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane

C16H27N3OS — CID 97472144

IUPAC(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCCN1CCOC[C@@]2(CCN(Cc3csc(C)n3)C2)C1
InChIInChI=1S/C16H27N3OS/c1-3-5-18-7-8-20-13-16(11-18)4-6-19(12-16)9-15-10-21-14(2)17-15/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyBJBHUSMERVFQOS-INIZCTEOSA-N
MW309.48 g/mol
LogP2.39
Rot. Bonds4

About (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472144) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472144
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCCN1CCOC[C@@]2(CCN(Cc3csc(C)n3)C2)C1
InChIInChI=1S/C16H27N3OS/c1-3-5-18-7-8-20-13-16(11-18)4-6-19(12-16)9-15-10-21-14(2)17-15/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyBJBHUSMERVFQOS-INIZCTEOSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane 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 (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472144) is (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane is CCCN1CCOC[C@@]2(CCN(Cc3csc(C)n3)C2)C1.
What is the InChIKey of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is BJBHUSMERVFQOS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-5-18-7-8-20-13-16(11-18)4-6-19(12-16)9-15-10-21-14(2)17-15/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 309.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).