(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H25N3O2S2 — CID 97373069

IUPAC(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOC[C@@]3(C2)CN(Cc2cccs2)CCO3)cs1
InChIInChI=1S/C18H25N3O2S2/c1-15-19-16(11-25-15)9-20-4-6-22-14-18(12-20)13-21(5-7-23-18)10-17-3-2-8-24-17/h2-3,8,11H,4-7,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyCKKXNDVIUVXYQS-GOSISDBHSA-N
MW379.55 g/mol
LogP2.62
Rot. Bonds4

About (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373069) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97373069
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOC[C@@]3(C2)CN(Cc2cccs2)CCO3)cs1
InChIInChI=1S/C18H25N3O2S2/c1-15-19-16(11-25-15)9-20-4-6-22-14-18(12-20)13-21(5-7-23-18)10-17-3-2-8-24-17/h2-3,8,11H,4-7,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyCKKXNDVIUVXYQS-GOSISDBHSA-N
XLogP2.62
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane 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 (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373069) is (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1nc(CN2CCOC[C@@]3(C2)CN(Cc2cccs2)CCO3)cs1.
What is the InChIKey of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is CKKXNDVIUVXYQS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-15-19-16(11-25-15)9-20-4-6-22-14-18(12-20)13-21(5-7-23-18)10-17-3-2-8-24-17/h2-3,8,11H,4-7,9-10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 379.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).