(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H21N5OS — CID 97494547

IUPAC(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOC[C@@]3(CCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H21N5OS/c1-3-16(12-21(7-1)15-19-6-10-23-15)11-20(8-9-22-13-16)14-17-4-2-5-18-14/h2,4-6,10H,1,3,7-9,11-13H2/t16-/m0/s1
InChIKeyYHTUCCUZMCAEDI-INIZCTEOSA-N
MW331.44 g/mol
LogP2.06
Rot. Bonds2

About (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494547) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494547
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOC[C@@]3(CCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C16H21N5OS/c1-3-16(12-21(7-1)15-19-6-10-23-15)11-20(8-9-22-13-16)14-17-4-2-5-18-14/h2,4-6,10H,1,3,7-9,11-13H2/t16-/m0/s1
InChIKeyYHTUCCUZMCAEDI-INIZCTEOSA-N
XLogP2.06
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(pyridin-2-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070430
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(6S)-N-propan-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494895
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168

Frequently Asked Questions

What is the IUPAC name of (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494547) is (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cnc(N2CCOC[C@@]3(CCCN(c4nccs4)C3)C2)nc1.
What is the InChIKey of (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is YHTUCCUZMCAEDI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-3-16(12-21(7-1)15-19-6-10-23-15)11-20(8-9-22-13-16)14-17-4-2-5-18-14/h2,4-6,10H,1,3,7-9,11-13H2/t16-/m0/s1.
What are the key properties of (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 331.44 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).