4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine

C8H12ClN3S — CID 43426947

IUPAC4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCCC1
InChIInChI=1S/C8H12ClN3S/c9-7-8(12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
InChIKeyHNSCMDXMRBCYJO-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.94
Rot. Bonds2

About 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine

4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine (PubChem CID 43426947) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine
PubChem CID43426947
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCCC1
InChIInChI=1S/C8H12ClN3S/c9-7-8(12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
InChIKeyHNSCMDXMRBCYJO-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine (CID 43426947) is 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine is Clc1nsnc1NC1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine?
The InChIKey is HNSCMDXMRBCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-7-8(12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12).
What are the key properties of 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine has a molecular weight of 217.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43426947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).