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

C11H15N5O2S2 — CID 7797099

IUPACN-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNc1nnc(SCC(=O)NC(=O)NC2CC2)s1
InChIInChI=1S/C11H15N5O2S2/c1-2-5-12-10-15-16-11(20-10)19-6-8(17)14-9(18)13-7-3-4-7/h2,7H,1,3-6H2,(H,12,15)(H2,13,14,17,18)
InChIKeyPBQWCHBOWJVBAJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.22
Rot. Bonds7

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

N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7797099) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7797099
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC NameN-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNc1nnc(SCC(=O)NC(=O)NC2CC2)s1
InChIInChI=1S/C11H15N5O2S2/c1-2-5-12-10-15-16-11(20-10)19-6-8(17)14-9(18)13-7-3-4-7/h2,7H,1,3-6H2,(H,12,15)(H2,13,14,17,18)
InChIKeyPBQWCHBOWJVBAJ-UHFFFAOYSA-N
XLogP1.22
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7797099) is N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is C=CCNc1nnc(SCC(=O)NC(=O)NC2CC2)s1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PBQWCHBOWJVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-2-5-12-10-15-16-11(20-10)19-6-8(17)14-9(18)13-7-3-4-7/h2,7H,1,3-6H2,(H,12,15)(H2,13,14,17,18).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7797099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).