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

C11H13N3OS2 — CID 769201

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-7(2)10-13-14-11(17-10)12-9(15)6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15)
InChIKeyDSVGWXFTIKSNNE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.90
Rot. Bonds4

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 769201) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID769201
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-7(2)10-13-14-11(17-10)12-9(15)6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15)
InChIKeyDSVGWXFTIKSNNE-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfonamide deriv., 6
CID 44520900
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451531
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(phenylthio)acetamide
CID 700480
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-N'-thiophen-2-ylmethyl-succinamide
CID 1627306
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1633446
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
3,3-Dimethyl-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 648154

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 769201) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is CC(C)c1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is DSVGWXFTIKSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-7(2)10-13-14-11(17-10)12-9(15)6-8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 267.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 769201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).