2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H19N5OS — CID 136541017

IUPAC2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1nccc1C1=CC2CCC(C1)N2CC(=O)Nc1nccs1
InChIInChI=1S/C16H19N5OS/c1-20-14(4-5-18-20)11-8-12-2-3-13(9-11)21(12)10-15(22)19-16-17-6-7-23-16/h4-8,12-13H,2-3,9-10H2,1H3,(H,17,19,22)
InChIKeyFDRBRMYZOUJQIQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.14
Rot. Bonds4

About 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 136541017) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID136541017
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1nccc1C1=CC2CCC(C1)N2CC(=O)Nc1nccs1
InChIInChI=1S/C16H19N5OS/c1-20-14(4-5-18-20)11-8-12-2-3-13(9-11)21(12)10-15(22)19-16-17-6-7-23-16/h4-8,12-13H,2-3,9-10H2,1H3,(H,17,19,22)
InChIKeyFDRBRMYZOUJQIQ-UHFFFAOYSA-N
XLogP2.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110265170
N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 110265171
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
N-methyl-N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043889
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981078
N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-2-[3-(4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]acetamide
CID 46992917
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50958388
N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 136542163
N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide
CID 88581192
5-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3,4-dihydropyridine-6-carboxamide
CID 88581211

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 136541017) is 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide is Cn1nccc1C1=CC2CCC(C1)N2CC(=O)Nc1nccs1.
What is the InChIKey of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FDRBRMYZOUJQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20-14(4-5-18-20)11-8-12-2-3-13(9-11)21(12)10-15(22)19-16-17-6-7-23-16/h4-8,12-13H,2-3,9-10H2,1H3,(H,17,19,22).
What are the key properties of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 136541017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).