2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol

C17H29N3O2S — CID 97409237

IUPAC2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCc1nc(CN2CCOCC23CCN(CC(C)(C)O)CC3)cs1
InChIInChI=1S/C17H29N3O2S/c1-14-18-15(11-23-14)10-20-8-9-22-13-17(20)4-6-19(7-5-17)12-16(2,3)21/h11,21H,4-10,12-13H2,1-3H3
InChIKeyCUJGWLYSHPUMSH-UHFFFAOYSA-N
MW339.51 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol

2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol (PubChem CID 97409237) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
PubChem CID97409237
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
SMILESCc1nc(CN2CCOCC23CCN(CC(C)(C)O)CC3)cs1
InChIInChI=1S/C17H29N3O2S/c1-14-18-15(11-23-14)10-20-8-9-22-13-17(20)4-6-19(7-5-17)12-16(2,3)21/h11,21H,4-10,12-13H2,1-3H3
InChIKeyCUJGWLYSHPUMSH-UHFFFAOYSA-N
XLogP1.89
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxyphenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97409238
2-methyl-4-[[7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-1,3-thiazole
CID 97399225
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62463277
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834789
2-methoxy-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 134072667
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62463271
(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
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-pyridin-2-ylmethanone
CID 134072670
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-phenylmethanone
CID 134070367
4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131640207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol (CID 97409237) is 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol is Cc1nc(CN2CCOCC23CCN(CC(C)(C)O)CC3)cs1.
What is the InChIKey of 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
The InChIKey is CUJGWLYSHPUMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14-18-15(11-23-14)10-20-8-9-22-13-17(20)4-6-19(7-5-17)12-16(2,3)21/h11,21H,4-10,12-13H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol?
2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol has a molecular weight of 339.51 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol is sourced from PubChem (CID 97409237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).