N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide

C12H15F3N4O2S — CID 940931

IUPACN-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)10-18-19-11(22-10)17-9(21)6-5-8(20)16-7-3-1-2-4-7/h7H,1-6H2,(H,16,20)(H,17,19,21)
InChIKeyRNLSXPJEQYCOSL-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.33
Rot. Bonds5

About N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide

N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide (PubChem CID 940931) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
PubChem CID940931
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC NameN-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)10-18-19-11(22-10)17-9(21)6-5-8(20)16-7-3-1-2-4-7/h7H,1-6H2,(H,16,20)(H,17,19,21)
InChIKeyRNLSXPJEQYCOSL-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclooctyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4977394
N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 943075
3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3738935
5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 55636834
N-(3,5-dimethylphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 1399512
methyl 5-oxo-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoate
CID 126796489
3-pyridin-4-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 60507342
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 86987803
N-(4-bromo-3-methylphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 3535317

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The IUPAC name of N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide (CID 940931) is N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The canonical SMILES for N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide is O=C(CCC(=O)NC1CCCC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The InChIKey is RNLSXPJEQYCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c13-12(14,15)10-18-19-11(22-10)17-9(21)6-5-8(20)16-7-3-1-2-4-7/h7H,1-6H2,(H,16,20)(H,17,19,21).
What are the key properties of N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide has a molecular weight of 336.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide is sourced from PubChem (CID 940931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).