N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H19N3OS — CID 43045933

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCc1nnc(NC(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C13H19N3OS/c1-2-3-11-15-16-13(18-11)14-12(17)10-7-8-4-5-9(10)6-8/h8-10H,2-7H2,1H3,(H,14,16,17)
InChIKeyMUYAJAILIKSMJL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.87
Rot. Bonds4

About N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 43045933) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID43045933
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCc1nnc(NC(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C13H19N3OS/c1-2-3-11-15-16-13(18-11)14-12(17)10-7-8-4-5-9(10)6-8/h8-10H,2-7H2,1H3,(H,14,16,17)
InChIKeyMUYAJAILIKSMJL-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 98588269
(1S,2R,4S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6974884
N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958422
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98277438
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 98289105

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 43045933) is N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCCc1nnc(NC(=O)C2CC3CCC2C3)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MUYAJAILIKSMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-3-11-15-16-13(18-11)14-12(17)10-7-8-4-5-9(10)6-8/h8-10H,2-7H2,1H3,(H,14,16,17).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 43045933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).