1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

C12H13F3N4OS — CID 63280257

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3
InChIKeyZDHHMPAKKJJNOQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.59
Rot. Bonds5

About 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280257) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280257
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3
InChIKeyZDHHMPAKKJJNOQ-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171482
5-bromo-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62207647
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318910
1-[(3-methylquinoxalin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 51142128
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 39060063
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62209223
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207477
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
CID 62184364

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280257) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is CCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZDHHMPAKKJJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3.
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).