2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

C19H24ClN3OS — CID 119676911

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1.Cl
InChIInChI=1S/C19H23N3OS.ClH/c1-12-2-4-14(5-3-12)17-11-24-19(21-17)22-18(23)10-13-8-15-6-7-16(9-13)20-15;/h2-5,11,13,15-16,20H,6-10H2,1H3,(H,21,22,23);1H
InChIKeyAOKRXYDRRUDNNZ-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.40
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 119676911) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID119676911
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1.Cl
InChIInChI=1S/C19H23N3OS.ClH/c1-12-2-4-14(5-3-12)17-11-24-19(21-17)22-18(23)10-13-8-15-6-7-16(9-13)20-15;/h2-5,11,13,15-16,20H,6-10H2,1H3,(H,21,22,23);1H
InChIKeyAOKRXYDRRUDNNZ-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119677139
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 119684423
4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119702123
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258
2-cyclohexyloxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 167863923
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 119676911) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is AOKRXYDRRUDNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.ClH/c1-12-2-4-14(5-3-12)17-11-24-19(21-17)22-18(23)10-13-8-15-6-7-16(9-13)20-15;/h2-5,11,13,15-16,20H,6-10H2,1H3,(H,21,22,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119676911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).