N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C15H9N5OS3 — CID 10451870

IUPACN-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Sc2ncnc3ccccc23)s1)c1cccs1
InChIInChI=1S/C15H9N5OS3/c21-12(11-6-3-7-22-11)18-14-19-20-15(24-14)23-13-9-4-1-2-5-10(9)16-8-17-13/h1-8H,(H,18,19,21)
InChIKeyBEYOAUPYJKPGDD-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.95
Rot. Bonds4

About N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 10451870) has the molecular formula C15H9N5OS3 and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID10451870
Molecular FormulaC15H9N5OS3
Molecular Weight371.47 g/mol
Exact Mass371.00
IUPAC NameN-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Sc2ncnc3ccccc23)s1)c1cccs1
InChIInChI=1S/C15H9N5OS3/c21-12(11-6-3-7-22-11)18-14-19-20-15(24-14)23-13-9-4-1-2-5-10(9)16-8-17-13/h1-8H,(H,18,19,21)
InChIKeyBEYOAUPYJKPGDD-UHFFFAOYSA-N
XLogP3.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(6-fluoroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 10452880
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 51199300
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 40833327
N-[5-[(2,6-difluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 42805507
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 3321824
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
ethyl 5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazole-2-carboxylate
CID 80610513
N-[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 7191282
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 5051757
2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8520648
N-[4-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208701
N-[5-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4168712

Frequently Asked Questions

What is the IUPAC name of N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 10451870) is N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(Sc2ncnc3ccccc23)s1)c1cccs1.
What is the InChIKey of N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is BEYOAUPYJKPGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5OS3/c21-12(11-6-3-7-22-11)18-14-19-20-15(24-14)23-13-9-4-1-2-5-10(9)16-8-17-13/h1-8H,(H,18,19,21).
What are the key properties of N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-quinazolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 10451870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).