N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen

C13H24N4OS — CID 177337937

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen
SMILESCC1(C)C2CC[C@@H](CC(=O)Nc3nnc(N)s3)C1C2.[H][H].[H][H]
InChIInChI=1S/C13H20N4OS.2H2/c1-13(2)8-4-3-7(9(13)6-8)5-10(18)15-12-17-16-11(14)19-12;;/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,17,18);2*1H/t7-,8?,9?;;/m0../s1
InChIKeyAJSHARWKSSCPRM-RQTRDATOSA-N
MW284.43 g/mol
LogP3.01
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen (PubChem CID 177337937) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen
PubChem CID177337937
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen
SMILESCC1(C)C2CC[C@@H](CC(=O)Nc3nnc(N)s3)C1C2.[H][H].[H][H]
InChIInChI=1S/C13H20N4OS.2H2/c1-13(2)8-4-3-7(9(13)6-8)5-10(18)15-12-17-16-11(14)19-12;;/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,17,18);2*1H/t7-,8?,9?;;/m0../s1
InChIKeyAJSHARWKSSCPRM-RQTRDATOSA-N
XLogP3.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen (CID 177337937) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen is CC1(C)C2CC[C@@H](CC(=O)Nc3nnc(N)s3)C1C2.[H][H].[H][H].
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen?
The InChIKey is AJSHARWKSSCPRM-RQTRDATOSA-N. The full InChI is InChI=1S/C13H20N4OS.2H2/c1-13(2)8-4-3-7(9(13)6-8)5-10(18)15-12-17-16-11(14)19-12;;/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,17,18);2*1H/t7-,8?,9?;;/m0../s1.
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen has a molecular weight of 284.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetamide;molecular hydrogen is sourced from PubChem (CID 177337937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).