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

C11H7N3OS3 — CID 1080987

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cccs1
InChIInChI=1S/C11H7N3OS3/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15)
InChIKeyMMARCZOOJXQVPO-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.58
Rot. Bonds3

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

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 1080987) has the molecular formula C11H7N3OS3 and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID1080987
Molecular FormulaC11H7N3OS3
Molecular Weight293.40 g/mol
Exact Mass292.98
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cccs1
InChIInChI=1S/C11H7N3OS3/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15)
InChIKeyMMARCZOOJXQVPO-UHFFFAOYSA-N
XLogP3.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
CID 2881332
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 795327
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108744057
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108744010
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 51199300
2-chloroethyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744063

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 1080987) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(-c2cccs2)s1)c1cccs1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is MMARCZOOJXQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS3/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).