9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H27N3OS — CID 120988850

IUPAC9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C21H27N3OS/c1-13-18(26-21(24-13)14-6-3-2-4-7-14)12-23-20(25)17-10-15-8-5-9-16(11-17)19(15)22/h2-4,6-7,15-17,19H,5,8-12,22H2,1H3,(H,23,25)
InChIKeyXFJKBJPGFKEVQD-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.89
Rot. Bonds4

About 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120988850) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120988850
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C21H27N3OS/c1-13-18(26-21(24-13)14-6-3-2-4-7-14)12-23-20(25)17-10-15-8-5-9-16(11-17)19(15)22/h2-4,6-7,15-17,19H,5,8-12,22H2,1H3,(H,23,25)
InChIKeyXFJKBJPGFKEVQD-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119772198
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide
CID 50948384
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120988850) is 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is XFJKBJPGFKEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-13-18(26-21(24-13)14-6-3-2-4-7-14)12-23-20(25)17-10-15-8-5-9-16(11-17)19(15)22/h2-4,6-7,15-17,19H,5,8-12,22H2,1H3,(H,23,25).
What are the key properties of 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120988850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).