cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C9H12FN3OS — CID 129348789

IUPACcis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C9H12FN3OS/c10-7-3-1-2-6(4-7)8(14)12-9-13-11-5-15-9/h5-7H,1-4H2,(H,12,13,14)/t6-,7+/m1/s1
InChIKeyUAQPOMBAGPFOBD-RQJHMYQMSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds2

About cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 129348789) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID129348789
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Namecis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C9H12FN3OS/c10-7-3-1-2-6(4-7)8(14)12-9-13-11-5-15-9/h5-7H,1-4H2,(H,12,13,14)/t6-,7+/m1/s1
InChIKeyUAQPOMBAGPFOBD-RQJHMYQMSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 126794153
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119261708
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369502
(1S)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369503
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200514
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
2-amino-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 64822320
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51118916

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 129348789) is cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is O=C(Nc1nncs1)[C@@H]1CCC[C@H](F)C1.
What is the InChIKey of cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UAQPOMBAGPFOBD-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H12FN3OS/c10-7-3-1-2-6(4-7)8(14)12-9-13-11-5-15-9/h5-7H,1-4H2,(H,12,13,14)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).