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

C12H14N4OS2 — CID 82176572

IUPACN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(C2CCCN2)s1
InChIInChI=1S/C12H14N4OS2/c17-10(7-8-3-2-6-18-8)14-12-16-15-11(19-12)9-4-1-5-13-9/h2-3,6,9,13H,1,4-5,7H2,(H,14,16,17)
InChIKeyZRBWVDMODGRGET-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.21
Rot. Bonds4

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

N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 82176572) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID82176572
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(C2CCCN2)s1
InChIInChI=1S/C12H14N4OS2/c17-10(7-8-3-2-6-18-8)14-12-16-15-11(19-12)9-4-1-5-13-9/h2-3,6,9,13H,1,4-5,7H2,(H,14,16,17)
InChIKeyZRBWVDMODGRGET-UHFFFAOYSA-N
XLogP2.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40966508
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 4693045
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
2-cyclopentyl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51199308
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-(2-methylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-nitrophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(2-methylphenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-nitrophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-thiophen-2-yl-N-[5-[(1R,3R)-3-[5-[(2-thiophen-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-thiophen-2-yl-N-[5-[(1S,3S)-3-[5-[(2-thiophen-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 159366560
N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 7336987
2-pyridin-4-yl-N-[5-[3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123473896
N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40833756
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
2-(4-fluorophenyl)-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51199298

Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 82176572) is N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(C2CCCN2)s1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ZRBWVDMODGRGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c17-10(7-8-3-2-6-18-8)14-12-16-15-11(19-12)9-4-1-5-13-9/h2-3,6,9,13H,1,4-5,7H2,(H,14,16,17).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).