5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine

C13H11N5OS — CID 101436163

IUPAC5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2oc(-c3nnc(NC4=NCCN4)s3)cc2c1
InChIInChI=1S/C13H11N5OS/c1-2-4-9-8(3-1)7-10(19-9)11-17-18-13(20-11)16-12-14-5-6-15-12/h1-4,7H,5-6H2,(H2,14,15,16,18)
InChIKeyTWOUYAQRCBTUJE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.32
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine

5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 101436163) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID101436163
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2oc(-c3nnc(NC4=NCCN4)s3)cc2c1
InChIInChI=1S/C13H11N5OS/c1-2-4-9-8(3-1)7-10(19-9)11-17-18-13(20-11)16-12-14-5-6-15-12/h1-4,7H,5-6H2,(H2,14,15,16,18)
InChIKeyTWOUYAQRCBTUJE-UHFFFAOYSA-N
XLogP2.32
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine (CID 101436163) is 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine is c1ccc2oc(-c3nnc(NC4=NCCN4)s3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TWOUYAQRCBTUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-2-4-9-8(3-1)7-10(19-9)11-17-18-13(20-11)16-12-14-5-6-15-12/h1-4,7H,5-6H2,(H2,14,15,16,18).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine?
5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 285.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 101436163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).