N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide

C12H10N4OS — CID 100657762

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2nnc(CC)s2)c1
InChIInChI=1S/C12H10N4OS/c1-3-8-5-9(7-13-6-8)11(17)14-12-16-15-10(4-2)18-12/h1,5-7H,4H2,2H3,(H,14,16,17)
InChIKeyLXYSIHGEBHCSHB-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.73
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide (PubChem CID 100657762) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
PubChem CID100657762
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2nnc(CC)s2)c1
InChIInChI=1S/C12H10N4OS/c1-3-8-5-9(7-13-6-8)11(17)14-12-16-15-10(4-2)18-12/h1,5-7H,4H2,2H3,(H,14,16,17)
InChIKeyLXYSIHGEBHCSHB-UHFFFAOYSA-N
XLogP1.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 107642899
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 107642805
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17446454
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 107642867
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
CID 7551438
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide (CID 100657762) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide is C#Cc1cncc(C(=O)Nc2nnc(CC)s2)c1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide?
The InChIKey is LXYSIHGEBHCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-3-8-5-9(7-13-6-8)11(17)14-12-16-15-10(4-2)18-12/h1,5-7H,4H2,2H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide is sourced from PubChem (CID 100657762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).