[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone

C14H17N5OS — CID 135306098

IUPAC[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CC3CCC(C2)N3)nn1C(=O)c1cscn1
InChIInChI=1S/C14H17N5OS/c15-13-5-11(8-3-9-1-2-10(4-8)17-9)18-19(13)14(20)12-6-21-7-16-12/h5-10,17H,1-4,15H2
InChIKeyBPUFAAIOXHTPHJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.61
Rot. Bonds2

About [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone

[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 135306098) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID135306098
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CC3CCC(C2)N3)nn1C(=O)c1cscn1
InChIInChI=1S/C14H17N5OS/c15-13-5-11(8-3-9-1-2-10(4-8)17-9)18-19(13)14(20)12-6-21-7-16-12/h5-10,17H,1-4,15H2
InChIKeyBPUFAAIOXHTPHJ-UHFFFAOYSA-N
XLogP1.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclopentyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 56793428
N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 164629893
4-{2-[(5S,7R)-5-Isopropyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-2-YL]pyrrolidine-1-carbonyl}-1,3-thiazole
CID 136253415
[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136253434
4-{2-[(5R,7R)-5-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-2-YL]pyrrolidine-1-carbonyl}-1,3-thiazole
CID 136253470
[(2S)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136734881
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136734882
2-[(5S,7R)-5-Isopropyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-2-YL]-1-(1,3-thiazole-4-carbonyl)piperidine
CID 136761153
[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136850942
[(2R)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136850943
[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136886452
[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136886453

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone (CID 135306098) is [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone is Nc1cc(C2CC3CCC(C2)N3)nn1C(=O)c1cscn1.
What is the InChIKey of [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is BPUFAAIOXHTPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-13-5-11(8-3-9-1-2-10(4-8)17-9)18-19(13)14(20)12-6-21-7-16-12/h5-10,17H,1-4,15H2.
What are the key properties of [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone?
[5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 135306098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).