(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

C17H24N4O2S2 — CID 97373078

IUPAC(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
SMILESCc1nc(CN2CCOC[C@]3(C2)CN(Cc2nccs2)CCO3)cs1
InChIInChI=1S/C17H24N4O2S2/c1-14-19-15(10-25-14)8-20-3-5-22-13-17(11-20)12-21(4-6-23-17)9-16-18-2-7-24-16/h2,7,10H,3-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyGYDXWUSJMTYTFH-KRWDZBQOSA-N
MW380.54 g/mol
LogP2.01
Rot. Bonds4

About (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

(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 (PubChem CID 97373078) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97373078
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name(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
SMILESCc1nc(CN2CCOC[C@]3(C2)CN(Cc2nccs2)CCO3)cs1
InChIInChI=1S/C17H24N4O2S2/c1-14-19-15(10-25-14)8-20-3-5-22-13-17(11-20)12-21(4-6-23-17)9-16-18-2-7-24-16/h2,7,10H,3-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyGYDXWUSJMTYTFH-KRWDZBQOSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
N,N-dimethyl-2-[4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747132
8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155825382
3-(2,6-dimethylmorpholin-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 75453278
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 97262517
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 97262518
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 97262519
9-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372264
N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 97373039
N,N-dimethyl-2-[(6S)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 97373040
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(CN2CCOC[C@]3(C2)CN(Cc2nccs2)CCO3)cs1.
What is the InChIKey of (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?
The InChIKey is GYDXWUSJMTYTFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-14-19-15(10-25-14)8-20-3-5-22-13-17(11-20)12-21(4-6-23-17)9-16-18-2-7-24-16/h2,7,10H,3-6,8-9,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 380.54 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).