N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide

C13H15F2N3OS2 — CID 71974093

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)Nc2nnc(C(F)F)s2)c(C)s1
InChIInChI=1S/C13H15F2N3OS2/c1-7-6-9(8(2)20-7)4-3-5-10(19)16-13-18-17-12(21-13)11(14)15/h6,11H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyVALQVXWKSSIAJG-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.12
Rot. Bonds6

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide (PubChem CID 71974093) has the molecular formula C13H15F2N3OS2 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
PubChem CID71974093
Molecular FormulaC13H15F2N3OS2
Molecular Weight331.41 g/mol
Exact Mass331.06
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)Nc2nnc(C(F)F)s2)c(C)s1
InChIInChI=1S/C13H15F2N3OS2/c1-7-6-9(8(2)20-7)4-3-5-10(19)16-13-18-17-12(21-13)11(14)15/h6,11H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyVALQVXWKSSIAJG-UHFFFAOYSA-N
XLogP4.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
CID 119745205
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 126420574
4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 120561104
(2S)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119359559
N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119499768
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
CID 126807007
N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 126421675
4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111970476
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 47076940
(2S)-2-[[2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695178
4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide
CID 71974007

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide (CID 71974093) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide is Cc1cc(CCCC(=O)Nc2nnc(C(F)F)s2)c(C)s1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide?
The InChIKey is VALQVXWKSSIAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3OS2/c1-7-6-9(8(2)20-7)4-3-5-10(19)16-13-18-17-12(21-13)11(14)15/h6,11H,3-5H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide has a molecular weight of 331.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide is sourced from PubChem (CID 71974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).