(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

C13H19N3O2S — CID 164689941

IUPAC(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESNc1nc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cs1
InChIInChI=1S/C13H19N3O2S/c14-12-15-9(7-19-12)11(18)16-6-2-5-13(8-16)4-1-3-10(13)17/h7,10,17H,1-6,8H2,(H2,14,15)/t10-,13+/m1/s1
InChIKeyVESAIFNGAVXVCN-MFKMUULPSA-N
MW281.38 g/mol
LogP1.49
Rot. Bonds1

About (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (PubChem CID 164689941) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
PubChem CID164689941
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESNc1nc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cs1
InChIInChI=1S/C13H19N3O2S/c14-12-15-9(7-19-12)11(18)16-6-2-5-13(8-16)4-1-3-10(13)17/h7,10,17H,1-6,8H2,(H2,14,15)/t10-,13+/m1/s1
InChIKeyVESAIFNGAVXVCN-MFKMUULPSA-N
XLogP1.49
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135091402
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
CID 164688862
(2-amino-1,3-thiazol-4-yl)-[3-hydroxy-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
CID 155507907
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (CID 164689941) is (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is Nc1nc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The InChIKey is VESAIFNGAVXVCN-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-12-15-9(7-19-12)11(18)16-6-2-5-13(8-16)4-1-3-10(13)17/h7,10,17H,1-6,8H2,(H2,14,15)/t10-,13+/m1/s1.
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone has a molecular weight of 281.38 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 164689941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).