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

C10H15F3N4OS — CID 80614877

IUPACN-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CC)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-3-5-14-9-16-15-7(19-9)8(18)17(4-2)6-10(11,12)13/h3-6H2,1-2H3,(H,14,16)
InChIKeyJWOZZFIOYMJXKT-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.38
Rot. Bonds6

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

N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614877) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614877
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CC)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-3-5-14-9-16-15-7(19-9)8(18)17(4-2)6-10(11,12)13/h3-6H2,1-2H3,(H,14,16)
InChIKeyJWOZZFIOYMJXKT-UHFFFAOYSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80614877) is N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CC)CC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JWOZZFIOYMJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-3-5-14-9-16-15-7(19-9)8(18)17(4-2)6-10(11,12)13/h3-6H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).