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

C8H13N5O2S2 — CID 2413440

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O2S2/c1-4(2)10-7(15)11-5(14)3-16-8-13-12-6(9)17-8/h4H,3H2,1-2H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyOEUFTVOEMUTYIG-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.45
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2413440) has the molecular formula C8H13N5O2S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2413440
Molecular FormulaC8H13N5O2S2
Molecular Weight275.36 g/mol
Exact Mass275.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O2S2/c1-4(2)10-7(15)11-5(14)3-16-8-13-12-6(9)17-8/h4H,3H2,1-2H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyOEUFTVOEMUTYIG-UHFFFAOYSA-N
XLogP0.45
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
2-{[(5Z)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-butylacetamide
CID 1863801
N-(propan-2-ylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507694
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-isopropyl-acetamide
CID 8633017
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 45100044
N-(methylcarbamoyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16380590
2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8993391
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 9308420
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 16390990
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17392168
N-(ethylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47086587
N-(ethylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 47086613

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 2413440) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is OEUFTVOEMUTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S2/c1-4(2)10-7(15)11-5(14)3-16-8-13-12-6(9)17-8/h4H,3H2,1-2H3,(H2,9,12)(H2,10,11,14,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 275.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2413440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).