N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide

C9H12FN3OS — CID 126793972

IUPACN-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1csnn1
InChIInChI=1S/C9H12FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h5-7H,1-4H2,(H,11,14)/t6-,7-/m1/s1
InChIKeyDIQMOQYTULFNDO-RNFRBKRXSA-N
MW229.28 g/mol
LogP1.55
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide (PubChem CID 126793972) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
PubChem CID126793972
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1csnn1
InChIInChI=1S/C9H12FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h5-7H,1-4H2,(H,11,14)/t6-,7-/m1/s1
InChIKeyDIQMOQYTULFNDO-RNFRBKRXSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide (CID 126793972) is N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1F)c1csnn1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide?
The InChIKey is DIQMOQYTULFNDO-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h5-7H,1-4H2,(H,11,14)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 126793972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).