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

C16H25N3OS — CID 120994092

IUPAC9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCc1cnc(NC(=O)C2CC3CCCC(C2)C3N)s1
InChIInChI=1S/C16H25N3OS/c1-2-4-13-9-18-16(21-13)19-15(20)12-7-10-5-3-6-11(8-12)14(10)17/h9-12,14H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyCBDUFPXYWMVYQR-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.19
Rot. Bonds4

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

9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120994092) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120994092
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCc1cnc(NC(=O)C2CC3CCCC(C2)C3N)s1
InChIInChI=1S/C16H25N3OS/c1-2-4-13-9-18-16(21-13)19-15(20)12-7-10-5-3-6-11(8-12)14(10)17/h9-12,14H,2-8,17H2,1H3,(H,18,19,20)
InChIKeyCBDUFPXYWMVYQR-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 166278251
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119755294
9-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987466
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
9-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984606
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120994092) is 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is CCCc1cnc(NC(=O)C2CC3CCCC(C2)C3N)s1.
What is the InChIKey of 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CBDUFPXYWMVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-4-13-9-18-16(21-13)19-15(20)12-7-10-5-3-6-11(8-12)14(10)17/h9-12,14H,2-8,17H2,1H3,(H,18,19,20).
What are the key properties of 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).