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

C10H15F3N4O2S — CID 107486160

IUPACN-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4O2S/c1-2-3-14-9-16-15-7(20-9)8(19)17(4-5-18)6-10(11,12)13/h18H,2-6H2,1H3,(H,14,16)
InChIKeyRONXVNJYSHKIDA-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.36
Rot. Bonds7

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

N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107486160) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107486160
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4O2S/c1-2-3-14-9-16-15-7(20-9)8(19)17(4-5-18)6-10(11,12)13/h18H,2-6H2,1H3,(H,14,16)
InChIKeyRONXVNJYSHKIDA-UHFFFAOYSA-N
XLogP1.36
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 107486160) is N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1.
What is the InChIKey of N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RONXVNJYSHKIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-2-3-14-9-16-15-7(20-9)8(19)17(4-5-18)6-10(11,12)13/h18H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(propylamino)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107486160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).