2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol

C15H19N3OS — CID 135856794

IUPAC2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCn1nc(-c2ccccc2O)s/c1=N/C1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-15(16-11-7-3-2-4-8-11)20-14(17-18)12-9-5-6-10-13(12)19/h5-6,9-11,19H,2-4,7-8H2,1H3/b16-15+
InChIKeyWBMNVLQRJXIFQG-FOCLMDBBSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds2

About 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol

2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 135856794) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
PubChem CID135856794
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCn1nc(-c2ccccc2O)s/c1=N/C1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-15(16-11-7-3-2-4-8-11)20-14(17-18)12-9-5-6-10-13(12)19/h5-6,9-11,19H,2-4,7-8H2,1H3/b16-15+
InChIKeyWBMNVLQRJXIFQG-FOCLMDBBSA-N
XLogP3.09
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

3-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 9857161
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 135856791
4-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol;trifluoromethanesulfonic acid
CID 157985340
2-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol;trifluoromethanesulfonic acid
CID 160480918
3-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-(3-hydroxyphenyl)phenol
CID 17826105
3-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-4-(3-hydroxyphenyl)phenol
CID 70167728
3-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-methylphenol
CID 126660036
4-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzene-1,2-diol
CID 135856793
2-(4,5,5-trimethyl-4H-1,3-thiazol-2-yl)phenol
CID 136462269
4-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-(4-hydroxyphenyl)phenol
CID 136474928
2-(4,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol
CID 137160529
2-(4-Methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol
CID 137196388

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol (CID 135856794) is 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol is Cn1nc(-c2ccccc2O)s/c1=N/C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is WBMNVLQRJXIFQG-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-15(16-11-7-3-2-4-8-11)20-14(17-18)12-9-5-6-10-13(12)19/h5-6,9-11,19H,2-4,7-8H2,1H3/b16-15+.
What are the key properties of 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 289.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 135856794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).