N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C17H16N4O2S2 — CID 24668236

IUPACN-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1
InChIInChI=1S/C17H16N4O2S2/c1-10(2)16-20-21-17(25-16)19-14(22)11-6-3-4-7-12(11)18-15(23)13-8-5-9-24-13/h3-10H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyXXFRSQAZBVXYNT-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.23
Rot. Bonds5

About N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24668236) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24668236
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC NameN-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1
InChIInChI=1S/C17H16N4O2S2/c1-10(2)16-20-21-17(25-16)19-14(22)11-6-3-4-7-12(11)18-15(23)13-8-5-9-24-13/h3-10H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyXXFRSQAZBVXYNT-UHFFFAOYSA-N
XLogP4.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475
N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 7329996
N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 3110211
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538727
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577
N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47076935
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 24668236) is N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide is CC(C)c1nnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1.
What is the InChIKey of N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XXFRSQAZBVXYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-10(2)16-20-21-17(25-16)19-14(22)11-6-3-4-7-12(11)18-15(23)13-8-5-9-24-13/h3-10H,1-2H3,(H,18,23)(H,19,21,22).
What are the key properties of N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24668236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).