[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone

C16H19N5O2S — CID 97392416

IUPAC[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-8-24-12-19-13)20-6-7-23-11-16(9-20)2-5-21(10-16)15-17-3-1-4-18-15/h1,3-4,8,12H,2,5-7,9-11H2/t16-/m0/s1
InChIKeyDGYCSVOEDJWGDN-INIZCTEOSA-N
MW345.43 g/mol
LogP1.30
Rot. Bonds2

About [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone

[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97392416) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97392416
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-8-24-12-19-13)20-6-7-23-11-16(9-20)2-5-21(10-16)15-17-3-1-4-18-15/h1,3-4,8,12H,2,5-7,9-11H2/t16-/m0/s1
InChIKeyDGYCSVOEDJWGDN-INIZCTEOSA-N
XLogP1.30
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746437
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746436
[(5aR,8aS)-7-(5-fluoropyrimidin-2-yl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97420321
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97474243
N-[[(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124781198
[(5aS,8aR)-7-(5-fluoropyrimidin-2-yl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 124794069
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepane
CID 138383090
[(5aR,8aS)-7-(5-fluoropyrimidin-2-yl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155828489
(2-Pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851334
Morpholino(2-(pyrimidin-2-ylamino)thiazol-4-yl)methanone
CID 49670069
(9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone
CID 97450867
N-(2-morpholin-4-ylethyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 117084477

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone (CID 97392416) is [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DGYCSVOEDJWGDN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-14(13-8-24-12-19-13)20-6-7-23-11-16(9-20)2-5-21(10-16)15-17-3-1-4-18-15/h1,3-4,8,12H,2,5-7,9-11H2/t16-/m0/s1.
What are the key properties of [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone?
[(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.43 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97392416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).