9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H28ClN3OS — CID 120992136

IUPAC9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H27N3OS.ClH/c22-19-15-7-4-8-16(19)12-17(11-15)20(25)23-10-9-18-13-26-21(24-18)14-5-2-1-3-6-14;/h1-3,5-6,13,15-17,19H,4,7-12,22H2,(H,23,25);1H
InChIKeyAASABSZBIHZJHU-UHFFFAOYSA-N
MW406.00 g/mol
LogP4.04
Rot. Bonds5

About 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992136) has the molecular formula C21H28ClN3OS and a molecular weight of 406.00 g/mol. Its IUPAC name is 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992136
Molecular FormulaC21H28ClN3OS
Molecular Weight406.00 g/mol
Exact Mass405.16
IUPAC Name9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H27N3OS.ClH/c22-19-15-7-4-8-16(19)12-17(11-15)20(25)23-10-9-18-13-26-21(24-18)14-5-2-1-3-6-14;/h1-3,5-6,13,15-17,19H,4,7-12,22H2,(H,23,25);1H
InChIKeyAASABSZBIHZJHU-UHFFFAOYSA-N
XLogP4.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.00
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
2-(cyclobutylmethyl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975709
1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390118
9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988850
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987689

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992136) is 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCCc1csc(-c3ccccc3)n1)C2.
What is the InChIKey of 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is AASABSZBIHZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS.ClH/c22-19-15-7-4-8-16(19)12-17(11-15)20(25)23-10-9-18-13-26-21(24-18)14-5-2-1-3-6-14;/h1-3,5-6,13,15-17,19H,4,7-12,22H2,(H,23,25);1H.
What are the key properties of 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 406.00 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).