trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3OS — CID 51958422

IUPACtrans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C13H18F3N3OS/c1-2-4-10-18-19-12(21-10)17-11(20)8-5-3-6-9(7-8)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,19,20)/t8-,9-/m1/s1
InChIKeyWZKULMMIXMFADF-RKDXNWHRSA-N
MW321.37 g/mol
LogP3.80
Rot. Bonds4

About trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 51958422) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID51958422
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Nametrans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C13H18F3N3OS/c1-2-4-10-18-19-12(21-10)17-11(20)8-5-3-6-9(7-8)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,19,20)/t8-,9-/m1/s1
InChIKeyWZKULMMIXMFADF-RKDXNWHRSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43045933
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
cis-(1R,3S)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958201
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 51958422) is trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1.
What is the InChIKey of trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WZKULMMIXMFADF-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-2-4-10-18-19-12(21-10)17-11(20)8-5-3-6-9(7-8)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,19,20)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).