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

C17H14N4O2S2 — CID 33316475

IUPACN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1)c1cccs1
InChIInChI=1S/C17H14N4O2S2/c22-14(19-17-21-20-16(25-17)10-7-8-10)11-4-1-2-5-12(11)18-15(23)13-6-3-9-24-13/h1-6,9-10H,7-8H2,(H,18,23)(H,19,21,22)
InChIKeySUKKLSKJWCFHLR-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 33316475) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID33316475
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1)c1cccs1
InChIInChI=1S/C17H14N4O2S2/c22-14(19-17-21-20-16(25-17)10-7-8-10)11-4-1-2-5-12(11)18-15(23)13-6-3-9-24-13/h1-6,9-10H,7-8H2,(H,18,23)(H,19,21,22)
InChIKeySUKKLSKJWCFHLR-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 17203029
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 24647533
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 33316475) is N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1)c1cccs1.
What is the InChIKey of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SUKKLSKJWCFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c22-14(19-17-21-20-16(25-17)10-7-8-10)11-4-1-2-5-12(11)18-15(23)13-6-3-9-24-13/h1-6,9-10H,7-8H2,(H,18,23)(H,19,21,22).
What are the key properties of N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 33316475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).