N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride

C12H18ClN3OS — CID 119459538

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NC2CC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C12H17N3OS.ClH/c1-7-13-6-11(17-7)12(16)15-10-4-8-2-3-9(5-10)14-8;/h6,8-10,14H,2-5H2,1H3,(H,15,16);1H
InChIKeyQUXTXHAXESEERH-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.89
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119459538) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119459538
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NC2CC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C12H17N3OS.ClH/c1-7-13-6-11(17-7)12(16)15-10-4-8-2-3-9(5-10)14-8;/h6,8-10,14H,2-5H2,1H3,(H,15,16);1H
InChIKeyQUXTXHAXESEERH-UHFFFAOYSA-N
XLogP1.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
CID 129269848
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
CID 140929189
N-((1r,4r)-4-aminocyclohexyl)thiazole-5-carboxamide
CID 108041300
N-((1r,4r)-4-aminocyclohexyl)-2-ethylthiazole-5-carboxamide
CID 132227597
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)thiazole-5-carboxamide
CID 132228218
4-Amino-2-(methylsulfanyl)-N-pentylthiazole-5-carboxamide
CID 162393170
2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120812400
N-[(1R,3R)-3-fluorocyclopentyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124292278
N-[(1R,3S)-3-fluorocyclopentyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124292279
N-[(1S,3R)-3-fluorocyclopentyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124292280
N-[(1S,3S)-3-fluorocyclopentyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124292281

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 119459538) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ncc(C(=O)NC2CC3CCC(C2)N3)s1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is QUXTXHAXESEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS.ClH/c1-7-13-6-11(17-7)12(16)15-10-4-8-2-3-9(5-10)14-8;/h6,8-10,14H,2-5H2,1H3,(H,15,16);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 287.82 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119459538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).