(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

C16H21N5OS — CID 97372423

IUPAC(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC[C@]3(CN(Cc4nccs4)CCO3)C2)cn1
InChIInChI=1S/C16H21N5OS/c1-2-16(13-21(6-1)14-10-17-3-4-18-14)12-20(7-8-22-16)11-15-19-5-9-23-15/h3-5,9-10H,1-2,6-8,11-13H2/t16-/m0/s1
InChIKeyDJYOPWJBUVKPDH-INIZCTEOSA-N
MW331.44 g/mol
LogP1.80
Rot. Bonds3

About (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97372423) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97372423
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC[C@]3(CN(Cc4nccs4)CCO3)C2)cn1
InChIInChI=1S/C16H21N5OS/c1-2-16(13-21(6-1)14-10-17-3-4-18-14)12-20(7-8-22-16)11-15-19-5-9-23-15/h3-5,9-10H,1-2,6-8,11-13H2/t16-/m0/s1
InChIKeyDJYOPWJBUVKPDH-INIZCTEOSA-N
XLogP1.80
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492189
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396498
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496
8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171693195
4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
(6S)-N,N-dimethyl-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97372463

Frequently Asked Questions

What is the IUPAC name of (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97372423) is (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is c1cnc(N2CCC[C@]3(CN(Cc4nccs4)CCO3)C2)cn1.
What is the InChIKey of (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is DJYOPWJBUVKPDH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-16(13-21(6-1)14-10-17-3-4-18-14)12-20(7-8-22-16)11-15-19-5-9-23-15/h3-5,9-10H,1-2,6-8,11-13H2/t16-/m0/s1.
What are the key properties of (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 331.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).