N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C14H20N4OS2 — CID 1301353

IUPACN-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESNc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H20N4OS2/c15-12-17-18-13(21-12)20-7-11(19)16-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyQWSFZGSXHJRWCH-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.30
Rot. Bonds4

About N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1301353) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID1301353
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC NameN-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESNc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H20N4OS2/c15-12-17-18-13(21-12)20-7-11(19)16-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyQWSFZGSXHJRWCH-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-adamantyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798116
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
N-(1-adamantyl)-2-[[5-(4-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5214259
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 90652826
(2S)-N-(1-adamantyl)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7883553
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(oxan-4-yl)acetamide
CID 63098005
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
N-(1-adamantyl)-2-[(4-oxo-1,3-benzothiazin-2-yl)sulfanyl]acetamide
CID 4918880
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
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
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 1301353) is N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Nc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QWSFZGSXHJRWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c15-12-17-18-13(21-12)20-7-11(19)16-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,17)(H,16,19).
What are the key properties of N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 324.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1301353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).