4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine

C6H5ClN4OS — CID 81177621

IUPAC4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NCc1ccon1
InChIInChI=1S/C6H5ClN4OS/c7-5-6(11-13-10-5)8-3-4-1-2-12-9-4/h1-2H,3H2,(H,8,11)
InChIKeyRZEUCNNIXZSTFF-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.79
Rot. Bonds3

About 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine (PubChem CID 81177621) has the molecular formula C6H5ClN4OS and a molecular weight of 216.65 g/mol. Its IUPAC name is 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine
PubChem CID81177621
Molecular FormulaC6H5ClN4OS
Molecular Weight216.65 g/mol
Exact Mass215.99
IUPAC Name4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NCc1ccon1
InChIInChI=1S/C6H5ClN4OS/c7-5-6(11-13-10-5)8-3-4-1-2-12-9-4/h1-2H,3H2,(H,8,11)
InChIKeyRZEUCNNIXZSTFF-UHFFFAOYSA-N
XLogP1.79
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine (CID 81177621) is 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine is Clc1nsnc1NCc1ccon1.
What is the InChIKey of 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is RZEUCNNIXZSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4OS/c7-5-6(11-13-10-5)8-3-4-1-2-12-9-4/h1-2H,3H2,(H,8,11).
What are the key properties of 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 216.65 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 81177621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).