N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C12H15N3OS2 — CID 697577

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16)
InChIKeySIILNOLGPIOEMP-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.98
Rot. Bonds5

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 697577) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID697577
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16)
InChIKeySIILNOLGPIOEMP-UHFFFAOYSA-N
XLogP2.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 697577) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is SIILNOLGPIOEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-8(2)6-11-14-15-12(18-11)13-10(16)7-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 281.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 697577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).