(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C18H25N5OS — CID 97494802

IUPAC(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cs1
InChIInChI=1S/C18H25N5OS/c1-15-21-16(11-25-15)10-22-6-2-3-18(12-22)13-23(7-8-24-14-18)17-9-19-4-5-20-17/h4-5,9,11H,2-3,6-8,10,12-14H2,1H3/t18-/m1/s1
InChIKeyYMKRORFXJNJWDK-GOSISDBHSA-N
MW359.50 g/mol
LogP2.36
Rot. Bonds3

About (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494802) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494802
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cs1
InChIInChI=1S/C18H25N5OS/c1-15-21-16(11-25-15)10-22-6-2-3-18(12-22)13-23(7-8-24-14-18)17-9-19-4-5-20-17/h4-5,9,11H,2-3,6-8,10,12-14H2,1H3/t18-/m1/s1
InChIKeyYMKRORFXJNJWDK-GOSISDBHSA-N
XLogP2.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494802) is (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Cc1nc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cs1.
What is the InChIKey of (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is YMKRORFXJNJWDK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-15-21-16(11-25-15)10-22-6-2-3-18(12-22)13-23(7-8-24-14-18)17-9-19-4-5-20-17/h4-5,9,11H,2-3,6-8,10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 359.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).