4-(1-fluoroethyl)thiadiazole-5-carboxamide

C5H6FN3OS — CID 70190296

IUPAC4-(1-fluoroethyl)thiadiazole-5-carboxamide
SMILESCC(F)c1nnsc1C(N)=O
InChIInChI=1S/C5H6FN3OS/c1-2(6)3-4(5(7)10)11-9-8-3/h2H,1H3,(H2,7,10)
InChIKeySFXYIOWVHUMXJO-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.67
Rot. Bonds2

About 4-(1-fluoroethyl)thiadiazole-5-carboxamide

4-(1-fluoroethyl)thiadiazole-5-carboxamide (PubChem CID 70190296) has the molecular formula C5H6FN3OS and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(1-fluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(1-fluoroethyl)thiadiazole-5-carboxamide
PubChem CID70190296
Molecular FormulaC5H6FN3OS
Molecular Weight175.19 g/mol
Exact Mass175.02
IUPAC Name4-(1-fluoroethyl)thiadiazole-5-carboxamide
SMILESCC(F)c1nnsc1C(N)=O
InChIInChI=1S/C5H6FN3OS/c1-2(6)3-4(5(7)10)11-9-8-3/h2H,1H3,(H2,7,10)
InChIKeySFXYIOWVHUMXJO-UHFFFAOYSA-N
XLogP0.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 81343431
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722344
4-Methyl-1,2,3-thiadiazole-5-carboxamide
CID 2776853
4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
4-Ethyl-1,2,3-thiadiazole-5-carboxamide
CID 45084470
4-Propylthiadiazole-5-carbohydrazide
CID 65205659
4-Cyclopropyl-1,2,3-thiadiazole-5-carboxamide
CID 68420889
N-ethoxy-4-ethylthiadiazole-5-carboxamide
CID 43048038
4-ethyl-N,N-dimethylthiadiazole-5-carboxamide
CID 45858526
5-Ethylthiadiazole-4-carboxamide
CID 57376517
4-Ethyl-1,2,3-thiadiazole-5-carbohydrazide
CID 60664936

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(1-fluoroethyl)thiadiazole-5-carboxamide (CID 70190296) is 4-(1-fluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(1-fluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(1-fluoroethyl)thiadiazole-5-carboxamide is CC(F)c1nnsc1C(N)=O.
What is the InChIKey of 4-(1-fluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is SFXYIOWVHUMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3OS/c1-2(6)3-4(5(7)10)11-9-8-3/h2H,1H3,(H2,7,10).
What are the key properties of 4-(1-fluoroethyl)thiadiazole-5-carboxamide?
4-(1-fluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 70190296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).