N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C11H17F3N4OS — CID 80615575

IUPACN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCC)CC(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-3-5-15-10-17-16-8(20-10)9(19)18(6-4-2)7-11(12,13)14/h3-7H2,1-2H3,(H,15,17)
InChIKeyIKOXYYWSMNQZDE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.77
Rot. Bonds7

About N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615575) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615575
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCC)CC(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-3-5-15-10-17-16-8(20-10)9(19)18(6-4-2)7-11(12,13)14/h3-7H2,1-2H3,(H,15,17)
InChIKeyIKOXYYWSMNQZDE-UHFFFAOYSA-N
XLogP2.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615575) is N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CCC)CC(F)(F)F)s1.
What is the InChIKey of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IKOXYYWSMNQZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-3-5-15-10-17-16-8(20-10)9(19)18(6-4-2)7-11(12,13)14/h3-7H2,1-2H3,(H,15,17).
What are the key properties of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).