2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C14H22N4OS2 — CID 25376882

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nnc(N)s1)C2
InChIInChI=1S/C14H22N4OS2/c1-13(2)8-4-5-14(13,3)9(6-8)16-10(19)7-20-12-18-17-11(15)21-12/h8-9H,4-7H2,1-3H3,(H2,15,17)(H,16,19)/t8-,9+,14+/m1/s1
InChIKeyCXGBYDSCKMTXMW-ITMYJUKJSA-N
MW326.49 g/mol
LogP2.54
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 25376882) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID25376882
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nnc(N)s1)C2
InChIInChI=1S/C14H22N4OS2/c1-13(2)8-4-5-14(13,3)9(6-8)16-10(19)7-20-12-18-17-11(15)21-12/h8-9H,4-7H2,1-3H3,(H2,15,17)(H,16,19)/t8-,9+,14+/m1/s1
InChIKeyCXGBYDSCKMTXMW-ITMYJUKJSA-N
XLogP2.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 71943957
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
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 978286
2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 17404005
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(oxan-4-yl)acetamide
CID 63098005
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98283959
2-(cyanomethylsulfanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 47181974
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 51707862
N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1301353
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98311931

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 25376882) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nnc(N)s1)C2.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is CXGBYDSCKMTXMW-ITMYJUKJSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-13(2)8-4-5-14(13,3)9(6-8)16-10(19)7-20-12-18-17-11(15)21-12/h8-9H,4-7H2,1-3H3,(H2,15,17)(H,16,19)/t8-,9+,14+/m1/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 326.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 25376882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).