[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

C19H27N3O3S — CID 131689189

IUPAC[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCc1nc(CN2CCOC3(CCN(C(=O)C4[C@H]5COC[C@@H]45)CC3)C2)cs1
InChIInChI=1S/C19H27N3O3S/c1-13-20-14(11-26-13)8-21-6-7-25-19(12-21)2-4-22(5-3-19)18(23)17-15-9-24-10-16(15)17/h11,15-17H,2-10,12H2,1H3/t15-,16+,17?
InChIKeyZZYGIKCGUZGDAJ-SJPCQFCGSA-N
MW377.51 g/mol
LogP1.54
Rot. Bonds3

About [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 131689189) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID131689189
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCc1nc(CN2CCOC3(CCN(C(=O)C4[C@H]5COC[C@@H]45)CC3)C2)cs1
InChIInChI=1S/C19H27N3O3S/c1-13-20-14(11-26-13)8-21-6-7-25-19(12-21)2-4-22(5-3-19)18(23)17-15-9-24-10-16(15)17/h11,15-17H,2-10,12H2,1H3/t15-,16+,17?
InChIKeyZZYGIKCGUZGDAJ-SJPCQFCGSA-N
XLogP1.54
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone with MolForge

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688995
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689559
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141
4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131640207
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131935308
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
(6S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492378
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (CID 131689189) is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is Cc1nc(CN2CCOC3(CCN(C(=O)C4[C@H]5COC[C@@H]45)CC3)C2)cs1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is ZZYGIKCGUZGDAJ-SJPCQFCGSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13-20-14(11-26-13)8-21-6-7-25-19(12-21)2-4-22(5-3-19)18(23)17-15-9-24-10-16(15)17/h11,15-17H,2-10,12H2,1H3/t15-,16+,17?.
What are the key properties of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 377.51 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 131689189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).