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

C15H19N3OS — CID 135856791

IUPAC4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCn1nc(-c2ccc(O)cc2)s/c1=N\C1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-15(16-12-5-3-2-4-6-12)20-14(17-18)11-7-9-13(19)10-8-11/h7-10,12,19H,2-6H2,1H3/b16-15-
InChIKeyOCYJXEDMSKZPBY-NXVVXOECSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds2

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

4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 135856791) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
PubChem CID135856791
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCn1nc(-c2ccc(O)cc2)s/c1=N\C1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-15(16-12-5-3-2-4-6-12)20-14(17-18)11-7-9-13(19)10-8-11/h7-10,12,19H,2-6H2,1H3/b16-15-
InChIKeyOCYJXEDMSKZPBY-NXVVXOECSA-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

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Related Compounds

3-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 9857161
4-[[(4-Methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135415472
2-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 135856794
5-(4-Hydroxyphenyl)-3-propyl-1,3,4-thiadiazole-2-thione
CID 135971432
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
4-[(4-Methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 2361852
N-cyclohexyl-5-(4-methoxyphenyl)-3-methyl-1,3,4-thiadiazol-2-imine
CID 9857604
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
5-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzene-1,2,3-triol
CID 135856787
4-(5-Cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzene-1,2-diol
CID 135856793

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol (CID 135856791) is 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol is Cn1nc(-c2ccc(O)cc2)s/c1=N\C1CCCCC1.
What is the InChIKey of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is OCYJXEDMSKZPBY-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-15(16-12-5-3-2-4-6-12)20-14(17-18)11-7-9-13(19)10-8-11/h7-10,12,19H,2-6H2,1H3/b16-15-.
What are the key properties of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol?
4-(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 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 135856791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).