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

C5H7N3OS — CID 3846618

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCCc1nnc(NC=O)s1
InChIInChI=1S/C5H7N3OS/c1-2-4-7-8-5(10-4)6-3-9/h3H,2H2,1H3,(H,6,8,9)
InChIKeyZBPWCZPAIFSXRU-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.67
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide (PubChem CID 3846618) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
PubChem CID3846618
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCCc1nnc(NC=O)s1
InChIInChI=1S/C5H7N3OS/c1-2-4-7-8-5(10-4)6-3-9/h3H,2H2,1H3,(H,6,8,9)
InChIKeyZBPWCZPAIFSXRU-UHFFFAOYSA-N
XLogP0.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 554185
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 107647799
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
CID 172909172

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide (CID 3846618) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide is CCc1nnc(NC=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide?
The InChIKey is ZBPWCZPAIFSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-2-4-7-8-5(10-4)6-3-9/h3H,2H2,1H3,(H,6,8,9).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide has a molecular weight of 157.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide is sourced from PubChem (CID 3846618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).