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

C8H13ClF2N4OS — CID 120561104

IUPAC4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1nnc(C(F)F)s1.Cl
InChIInChI=1S/C8H12F2N4OS.ClH/c1-4(11)2-3-5(15)12-8-14-13-7(16-8)6(9)10;/h4,6H,2-3,11H2,1H3,(H,12,14,15);1H
InChIKeyDQCIYLOAKNAKLA-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.96
Rot. Bonds5

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

4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride (PubChem CID 120561104) has the molecular formula C8H13ClF2N4OS and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
PubChem CID120561104
Molecular FormulaC8H13ClF2N4OS
Molecular Weight286.74 g/mol
Exact Mass286.05
IUPAC Name4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1nnc(C(F)F)s1.Cl
InChIInChI=1S/C8H12F2N4OS.ClH/c1-4(11)2-3-5(15)12-8-14-13-7(16-8)6(9)10;/h4,6H,2-3,11H2,1H3,(H,12,14,15);1H
InChIKeyDQCIYLOAKNAKLA-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
CID 119745205
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
CID 126807007
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 71974093
3-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119745212
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537274
propyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 3065352
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
CID 130744096
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94817188
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride (CID 120561104) is 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1nnc(C(F)F)s1.Cl.
What is the InChIKey of 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The InChIKey is DQCIYLOAKNAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4OS.ClH/c1-4(11)2-3-5(15)12-8-14-13-7(16-8)6(9)10;/h4,6H,2-3,11H2,1H3,(H,12,14,15);1H.
What are the key properties of 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride has a molecular weight of 286.74 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 120561104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).