5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole

C14H22N2S — CID 130466715

IUPAC5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole
SMILESCC(C)[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C14H22N2S/c1-9(2)11-8-12(11)13-15-14(17-16-13)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyIBNLCIKTLNMMQB-NWDGAFQWSA-N
MW250.41 g/mol
LogP4.35
Rot. Bonds3

About 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole

5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole (PubChem CID 130466715) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole
PubChem CID130466715
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole
SMILESCC(C)[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C14H22N2S/c1-9(2)11-8-12(11)13-15-14(17-16-13)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyIBNLCIKTLNMMQB-NWDGAFQWSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole?
The IUPAC name of 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole (CID 130466715) is 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole is CC(C)[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole?
The InChIKey is IBNLCIKTLNMMQB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(2)11-8-12(11)13-15-14(17-16-13)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole?
5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole has a molecular weight of 250.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130466715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).