9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C13H18F2N4OS — CID 120987466

IUPAC9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1nnc(C(F)F)s1)C2
InChIInChI=1S/C13H18F2N4OS/c14-10(15)12-18-19-13(21-12)17-11(20)8-4-6-2-1-3-7(5-8)9(6)16/h6-10H,1-5,16H2,(H,17,19,20)
InChIKeyYYYPOYAUGZQZOV-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.57
Rot. Bonds3

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

9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120987466) has the molecular formula C13H18F2N4OS and a molecular weight of 316.38 g/mol. Its IUPAC name is 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120987466
Molecular FormulaC13H18F2N4OS
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1nnc(C(F)F)s1)C2
InChIInChI=1S/C13H18F2N4OS/c14-10(15)12-18-19-13(21-12)17-11(20)8-4-6-2-1-3-7(5-8)9(6)16/h6-10H,1-5,16H2,(H,17,19,20)
InChIKeyYYYPOYAUGZQZOV-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120625071
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-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
9-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991215
(2R,5S)-5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 126816631
9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994092
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
CID 130744096
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 75506326

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120987466) is 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1nnc(C(F)F)s1)C2.
What is the InChIKey of 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is YYYPOYAUGZQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4OS/c14-10(15)12-18-19-13(21-12)17-11(20)8-4-6-2-1-3-7(5-8)9(6)16/h6-10H,1-5,16H2,(H,17,19,20).
What are the key properties of 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120987466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).