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

C10H14N4OS2 — CID 1258061

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H14N4OS2/c1-3-5-14(6-4-2)8(15)7-16-10-13-12-9(11)17-10/h3-4H,1-2,5-7H2,(H2,11,12)
InChIKeyQIFGHZVCOKPGRB-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.41
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 1258061) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID1258061
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H14N4OS2/c1-3-5-14(6-4-2)8(15)7-16-10-13-12-9(11)17-10/h3-4H,1-2,5-7H2,(H2,11,12)
InChIKeyQIFGHZVCOKPGRB-UHFFFAOYSA-N
XLogP1.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-ethyl-N-(2-methylallyl)acetamide
CID 8633127
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N,N-diethyl-acetamide
CID 838722
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2630282
N,N-dimethyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797293
N-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 8220138
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dipropylacetamide
CID 9199523
N-ethyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517777
N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517778
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 16524205
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-propan-2-ylacetamide
CID 28379685
2-[[5-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 42988507
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 43086515

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (CID 1258061) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QIFGHZVCOKPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-3-5-14(6-4-2)8(15)7-16-10-13-12-9(11)17-10/h3-4H,1-2,5-7H2,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 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,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 1258061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).