trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol

C14H17N3OS — CID 14687043

IUPACtrans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c18-12-9-5-4-8-11(12)13-16-17-14(19-13)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,18H,4-5,8-9H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyBTKLYIAUXKZPOJ-VXGBXAGGSA-N
MW275.38 g/mol
LogP3.30
Rot. Bonds3

About trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol (PubChem CID 14687043) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol
PubChem CID14687043
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Nametrans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c18-12-9-5-4-8-11(12)13-16-17-14(19-13)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,18H,4-5,8-9H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyBTKLYIAUXKZPOJ-VXGBXAGGSA-N
XLogP3.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol (CID 14687043) is trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1c1nnc(Nc2ccccc2)s1.
What is the InChIKey of trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol?
The InChIKey is BTKLYIAUXKZPOJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-12-9-5-4-8-11(12)13-16-17-14(19-13)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,18H,4-5,8-9H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol has a molecular weight of 275.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 14687043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).