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

C21H27N3OS — CID 120992137

IUPAC9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H27N3OS/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)
InChIKeySXTVZKIJIOXNBP-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.62
Rot. Bonds5

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

9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120992137) has the molecular formula C21H27N3OS and a molecular weight of 369.53 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.

Molecular Properties

Compound Name9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120992137
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H27N3OS/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)
InChIKeySXTVZKIJIOXNBP-UHFFFAOYSA-N
XLogP3.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.62
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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
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-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
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
1-cyclohexyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
CID 144959114
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907

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?
The IUPAC name of 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120992137) is 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
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?
The canonical SMILES for 9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is 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?
The InChIKey is SXTVZKIJIOXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/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).
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?
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 3.62, 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 is sourced from PubChem (CID 120992137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).