trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol

C15H18ClN3OS — CID 58717455

IUPACtrans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol
SMILESCn1nc(-c2ccc(Cl)cc2)s/c1=N\[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H18ClN3OS/c1-19-15(17-12-4-2-3-5-13(12)20)21-14(18-19)10-6-8-11(16)9-7-10/h6-9,12-13,20H,2-5H2,1H3/b17-15-/t12-,13-/m1/s1
InChIKeyOBXWBHMXSZGLKZ-OVJMFRMASA-N
MW323.85 g/mol
LogP3.01
Rot. Bonds2

About trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol (PubChem CID 58717455) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol
PubChem CID58717455
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Nametrans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol
SMILESCn1nc(-c2ccc(Cl)cc2)s/c1=N\[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H18ClN3OS/c1-19-15(17-12-4-2-3-5-13(12)20)21-14(18-19)10-6-8-11(16)9-7-10/h6-9,12-13,20H,2-5H2,1H3/b17-15-/t12-,13-/m1/s1
InChIKeyOBXWBHMXSZGLKZ-OVJMFRMASA-N
XLogP3.01
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol (CID 58717455) is trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol is Cn1nc(-c2ccc(Cl)cc2)s/c1=N\[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol?
The InChIKey is OBXWBHMXSZGLKZ-OVJMFRMASA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19-15(17-12-4-2-3-5-13(12)20)21-14(18-19)10-6-8-11(16)9-7-10/h6-9,12-13,20H,2-5H2,1H3/b17-15-/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol has a molecular weight of 323.85 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexan-1-ol is sourced from PubChem (CID 58717455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).