4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

C11H19N3OS — CID 65272534

IUPAC4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCCCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-4-6-9(15)7-5-8/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyNGKYMOMIWSXNFA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.21
Rot. Bonds4

About 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 65272534) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID65272534
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCCCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-4-6-9(15)7-5-8/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyNGKYMOMIWSXNFA-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (CID 65272534) is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is CCCc1nsc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is NGKYMOMIWSXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-4-6-9(15)7-5-8/h8-9,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65272534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).