N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C11H10F2N4O2S2 — CID 47076935

IUPACN-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H10F2N4O2S2/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18)
InChIKeyQDYVFVGRVIYHKC-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.29
Rot. Bonds5

About N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 47076935) has the molecular formula C11H10F2N4O2S2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID47076935
Molecular FormulaC11H10F2N4O2S2
Molecular Weight332.36 g/mol
Exact Mass332.02
IUPAC NameN-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H10F2N4O2S2/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18)
InChIKeyQDYVFVGRVIYHKC-UHFFFAOYSA-N
XLogP2.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41322464
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
CID 43020450
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 47076935) is N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QDYVFVGRVIYHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2S2/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18).
What are the key properties of N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47076935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).