3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C6H8ClF3N4OS — CID 119279556

IUPAC3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N4OS.ClH/c7-6(8,9)4-12-13-5(15-4)11-3(14)1-2-10;/h1-2,10H2,(H,11,13,14);1H
InChIKeyIDVRNDXGKMKDFE-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.27
Rot. Bonds3

About 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 119279556) has the molecular formula C6H8ClF3N4OS and a molecular weight of 276.67 g/mol. Its IUPAC name is 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID119279556
Molecular FormulaC6H8ClF3N4OS
Molecular Weight276.67 g/mol
Exact Mass276.01
IUPAC Name3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N4OS.ClH/c7-6(8,9)4-12-13-5(15-4)11-3(14)1-2-10;/h1-2,10H2,(H,11,13,14);1H
InChIKeyIDVRNDXGKMKDFE-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 943075
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
methyl 5-oxo-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoate
CID 126796489
3-pyridin-4-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 60507342
N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 940931
N-(3,5-dimethylphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 1399512
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 697557
N-cyclooctyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4977394
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 119279556) is 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is IDVRNDXGKMKDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS.ClH/c7-6(8,9)4-12-13-5(15-4)11-3(14)1-2-10;/h1-2,10H2,(H,11,13,14);1H.
What are the key properties of 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 276.67 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).