2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C14H21N3OS — CID 98588269

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)s1
InChIInChI=1S/C14H21N3OS/c1-2-3-13-16-17-14(19-13)15-12(18)8-11-7-9-4-5-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18)/t9-,10-,11-/m1/s1
InChIKeyJNZVSBMSUYJOQF-GMTAPVOTSA-N
MW279.41 g/mol
LogP3.26
Rot. Bonds5

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 98588269) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID98588269
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)s1
InChIInChI=1S/C14H21N3OS/c1-2-3-13-16-17-14(19-13)15-12(18)8-11-7-9-4-5-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18)/t9-,10-,11-/m1/s1
InChIKeyJNZVSBMSUYJOQF-GMTAPVOTSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43045933
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51073156
methyl 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 98443491
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619904
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
methyl 4-[[5-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 7729214
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 4815545
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18556908
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 11918855
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 98588269) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)s1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JNZVSBMSUYJOQF-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-3-13-16-17-14(19-13)15-12(18)8-11-7-9-4-5-10(11)6-9/h9-11H,2-8H2,1H3,(H,15,17,18)/t9-,10-,11-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 279.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 98588269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).