N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

C11H13N3OS2 — CID 18079690

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESCc1nnc(NC(=O)CCCc2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-8-13-14-11(17-8)12-10(15)6-2-4-9-5-3-7-16-9/h3,5,7H,2,4,6H2,1H3,(H,12,14,15)
InChIKeyNFNVGMGIFRPHBX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.87
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 18079690) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID18079690
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESCc1nnc(NC(=O)CCCc2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-8-13-14-11(17-8)12-10(15)6-2-4-9-5-3-7-16-9/h3,5,7H,2,4,6H2,1H3,(H,12,14,15)
InChIKeyNFNVGMGIFRPHBX-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 47242361
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(5-amino-4-methyl-2-pyridinyl)-4-thiophen-2-ylbutanamide
CID 61293337

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (CID 18079690) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is Cc1nnc(NC(=O)CCCc2cccs2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is NFNVGMGIFRPHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8-13-14-11(17-8)12-10(15)6-2-4-9-5-3-7-16-9/h3,5,7H,2,4,6H2,1H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 267.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18079690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).