2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol

C14H17N3OS — CID 139070799

IUPAC2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(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/h4-5,8-10,18H,1-3,6-7H2,(H,15,17)
InChIKeyOPWKCDBHJJEENQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.66
Rot. Bonds3

About 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol

2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 139070799) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol
PubChem CID139070799
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(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/h4-5,8-10,18H,1-3,6-7H2,(H,15,17)
InChIKeyOPWKCDBHJJEENQ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol (CID 139070799) is 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(NC2CCCCC2)s1.
What is the InChIKey of 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is OPWKCDBHJJEENQ-UHFFFAOYSA-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/h4-5,8-10,18H,1-3,6-7H2,(H,15,17).
What are the key properties of 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol?
2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 275.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 139070799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).