[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine

C14H13N3OS2 — CID 81128363

IUPAC[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
SMILESCOc1csc(-c2nnc(C(N)c3ccccc3)s2)c1
InChIInChI=1S/C14H13N3OS2/c1-18-10-7-11(19-8-10)13-16-17-14(20-13)12(15)9-5-3-2-4-6-9/h2-8,12H,15H2,1H3
InChIKeyIDGGUNYORMWQGH-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.32
Rot. Bonds4

About [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine

[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine (PubChem CID 81128363) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
PubChem CID81128363
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
SMILESCOc1csc(-c2nnc(C(N)c3ccccc3)s2)c1
InChIInChI=1S/C14H13N3OS2/c1-18-10-7-11(19-8-10)13-16-17-14(20-13)12(15)9-5-3-2-4-6-9/h2-8,12H,15H2,1H3
InChIKeyIDGGUNYORMWQGH-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine?
The IUPAC name of [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine (CID 81128363) is [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine.
What is the SMILES notation for [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine?
The canonical SMILES for [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine is COc1csc(-c2nnc(C(N)c3ccccc3)s2)c1.
What is the InChIKey of [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine?
The InChIKey is IDGGUNYORMWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-18-10-7-11(19-8-10)13-16-17-14(20-13)12(15)9-5-3-2-4-6-9/h2-8,12H,15H2,1H3.
What are the key properties of [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine?
[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine is sourced from PubChem (CID 81128363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).