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

C17H24N4OS2 — CID 97384958

IUPAC(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(10-24-14)8-21-5-6-22-13-17(12-21)2-4-20(11-17)9-16-18-3-7-23-16/h3,7,10H,2,4-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyPYWFBBMZUJUNLH-KRWDZBQOSA-N
MW364.54 g/mol
LogP2.63
Rot. Bonds4

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

(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384958) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384958
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1nc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(10-24-14)8-21-5-6-22-13-17(12-21)2-4-20(11-17)9-16-18-3-7-23-16/h3,7,10H,2,4-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyPYWFBBMZUJUNLH-KRWDZBQOSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(5aS,8aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420364
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155849490
(6R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373077
(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373078
(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384838
(5R)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384839
(5R)-2,10-bis(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384952
(5S)-2,10-bis(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384953
(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384959
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396340
(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472143
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144

Frequently Asked Questions

What is the IUPAC name of (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384958) is (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1nc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cs1.
What is the InChIKey of (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is PYWFBBMZUJUNLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-14-19-15(10-24-14)8-21-5-6-22-13-17(12-21)2-4-20(11-17)9-16-18-3-7-23-16/h3,7,10H,2,4-6,8-9,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 364.54 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).