5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C10H15F3N4OS — CID 80615134

IUPAC5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H15F3N4OS/c1-4-14-9-16-15-7(19-9)8(18)17(6(2)3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyJTRVZGVQRFZSRR-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.38
Rot. Bonds5

About 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615134) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615134
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H15F3N4OS/c1-4-14-9-16-15-7(19-9)8(18)17(6(2)3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyJTRVZGVQRFZSRR-UHFFFAOYSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615134) is 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JTRVZGVQRFZSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-4-14-9-16-15-7(19-9)8(18)17(6(2)3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).