2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H14N4OS3 — CID 2503588

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NCc1cccs1
InChIInChI=1S/C15H14N4OS3/c20-13(16-9-12-7-4-8-21-12)10-22-15-19-18-14(23-15)17-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,20)(H,17,18)
InChIKeyFRTRHJHFGOPCKQ-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.75
Rot. Bonds7

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2503588) has the molecular formula C15H14N4OS3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2503588
Molecular FormulaC15H14N4OS3
Molecular Weight362.51 g/mol
Exact Mass362.03
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NCc1cccs1
InChIInChI=1S/C15H14N4OS3/c20-13(16-9-12-7-4-8-21-12)10-22-15-19-18-14(23-15)17-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,20)(H,17,18)
InChIKeyFRTRHJHFGOPCKQ-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2503588) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NCc1cccs1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FRTRHJHFGOPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS3/c20-13(16-9-12-7-4-8-21-12)10-22-15-19-18-14(23-15)17-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,20)(H,17,18).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 362.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2503588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).