2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C12H19N5OS2 — CID 6928693

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1nnc(N)s1)C2
InChIInChI=1S/C12H19N5OS2/c1-17-8-2-3-9(17)5-7(4-8)14-10(18)6-19-12-16-15-11(13)20-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,18)/t8-,9-/m1/s1
InChIKeyUDRFOWJFGHTQTC-RKDXNWHRSA-N
MW313.45 g/mol
LogP0.95
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 6928693) has the molecular formula C12H19N5OS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID6928693
Molecular FormulaC12H19N5OS2
Molecular Weight313.45 g/mol
Exact Mass313.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1nnc(N)s1)C2
InChIInChI=1S/C12H19N5OS2/c1-17-8-2-3-9(17)5-7(4-8)14-10(18)6-19-12-16-15-11(13)20-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,18)/t8-,9-/m1/s1
InChIKeyUDRFOWJFGHTQTC-RKDXNWHRSA-N
XLogP0.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 6928693) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CN1[C@@H]2CC[C@@H]1CC(NC(=O)CSc1nnc(N)s1)C2.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is UDRFOWJFGHTQTC-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19N5OS2/c1-17-8-2-3-9(17)5-7(4-8)14-10(18)6-19-12-16-15-11(13)20-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,18)/t8-,9-/m1/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 313.45 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 6928693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).