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

C10H14N4OS2 — CID 16517778

IUPACN-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNC(=O)CSc1nnc(NCC=C)s1
InChIInChI=1S/C10H14N4OS2/c1-3-5-11-8(15)7-16-10-14-13-9(17-10)12-6-4-2/h3-4H,1-2,5-7H2,(H,11,15)(H,12,13)
InChIKeyPQCXKKNGVWNMIO-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.53
Rot. Bonds8

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

N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 16517778) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID16517778
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC NameN-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNC(=O)CSc1nnc(NCC=C)s1
InChIInChI=1S/C10H14N4OS2/c1-3-5-11-8(15)7-16-10-14-13-9(17-10)12-6-4-2/h3-4H,1-2,5-7H2,(H,11,15)(H,12,13)
InChIKeyPQCXKKNGVWNMIO-UHFFFAOYSA-N
XLogP1.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 16517778) is N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is C=CCNC(=O)CSc1nnc(NCC=C)s1.
What is the InChIKey of N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PQCXKKNGVWNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-3-5-11-8(15)7-16-10-14-13-9(17-10)12-6-4-2/h3-4H,1-2,5-7H2,(H,11,15)(H,12,13).
What are the key properties of N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16517778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).