2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C12H14N4OS2 — CID 848960

IUPAC2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCCC1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H14N4OS2/c17-10(8-16-5-1-2-6-16)13-12-15-14-11(19-12)9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,13,15,17)
InChIKeyLCODLXLQGOLUAW-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.30
Rot. Bonds4

About 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 848960) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID848960
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC Name2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCCC1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H14N4OS2/c17-10(8-16-5-1-2-6-16)13-12-15-14-11(19-12)9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,13,15,17)
InChIKeyLCODLXLQGOLUAW-UHFFFAOYSA-N
XLogP2.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 848960) is 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCCC1)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LCODLXLQGOLUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c17-10(8-16-5-1-2-6-16)13-12-15-14-11(19-12)9-4-3-7-18-9/h3-4,7H,1-2,5-6,8H2,(H,13,15,17).
What are the key properties of 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 848960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).