N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide

C10H14F3N5OS — CID 114449935

IUPACN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N5OS/c1-17(2)7(19)6-5-14-3-4-18(6)9-16-15-8(20-9)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyTXVAFTBCBSZSDB-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.42
Rot. Bonds2

About N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide

N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide (PubChem CID 114449935) has the molecular formula C10H14F3N5OS and a molecular weight of 309.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide
PubChem CID114449935
Molecular FormulaC10H14F3N5OS
Molecular Weight309.32 g/mol
Exact Mass309.09
IUPAC NameN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N5OS/c1-17(2)7(19)6-5-14-3-4-18(6)9-16-15-8(20-9)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyTXVAFTBCBSZSDB-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-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,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide (CID 114449935) is N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide?
The InChIKey is TXVAFTBCBSZSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS/c1-17(2)7(19)6-5-14-3-4-18(6)9-16-15-8(20-9)10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide?
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 114449935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).