(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol

C15H25N3OS — CID 164689977

IUPAC(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCc1ncsc1CN1CCC[C@]2(CN(C)CC[C@@H]2O)C1
InChIInChI=1S/C15H25N3OS/c1-12-13(20-11-16-12)8-18-6-3-5-15(10-18)9-17(2)7-4-14(15)19/h11,14,19H,3-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyFWJCYLAGJKOKFY-GJZGRUSLSA-N
MW295.45 g/mol
LogP1.73
Rot. Bonds2

About (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 164689977) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID164689977
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCc1ncsc1CN1CCC[C@]2(CN(C)CC[C@@H]2O)C1
InChIInChI=1S/C15H25N3OS/c1-12-13(20-11-16-12)8-18-6-3-5-15(10-18)9-17(2)7-4-14(15)19/h11,14,19H,3-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyFWJCYLAGJKOKFY-GJZGRUSLSA-N
XLogP1.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 125220060
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689609
(3R,4S)-3-benzyl-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 164694563
(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
CID 110159406
2-[4-chloro-2-[[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
CID 164688781
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124519736
(4aS,8aS)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810685
(3S,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419682
(3aR,7aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387253
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol (CID 164689977) is (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol is Cc1ncsc1CN1CCC[C@]2(CN(C)CC[C@@H]2O)C1.
What is the InChIKey of (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is FWJCYLAGJKOKFY-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12-13(20-11-16-12)8-18-6-3-5-15(10-18)9-17(2)7-4-14(15)19/h11,14,19H,3-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 295.45 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 164689977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).