3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole

C5H7ClN2OS — CID 43808056

IUPAC3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole
SMILESCC(C)Oc1nsnc1Cl
InChIInChI=1S/C5H7ClN2OS/c1-3(2)9-5-4(6)7-10-8-5/h3H,1-2H3
InChIKeyAWWWAQNWEDIJBN-UHFFFAOYSA-N
MW178.64 g/mol
LogP1.98
Rot. Bonds2

About 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole

3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole (PubChem CID 43808056) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole
PubChem CID43808056
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole
SMILESCC(C)Oc1nsnc1Cl
InChIInChI=1S/C5H7ClN2OS/c1-3(2)9-5-4(6)7-10-8-5/h3H,1-2H3
InChIKeyAWWWAQNWEDIJBN-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-4-propoxy-1,2,5-thiadiazole
CID 10583490
3-Chloro-4-butyloxy-1,2,5-thiadiazole
CID 10607798
1,2,5-Thiadiazole, 3-chloro-4-(pentyloxy)-
CID 10703512
3-Chloro-4-hexyloxy-1,2,5-thiadiazole
CID 10775325
3-Chloro-4-ethoxy-1,2,5-thiadiazole
CID 19349042
3-Chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
CID 43808043
3-Chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole
CID 43808080
3-Chloro-4-(1,1,1-trifluoropropan-2-yloxy)-1,2,5-thiadiazole
CID 66274797
3-Chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
CID 82004463
3-Chloro-4-(4,4,4-trifluorobutoxy)-1,2,5-thiadiazole
CID 82788920
3-Chloro-4-(3,3,3-trifluoropropoxy)-1,2,5-thiadiazole
CID 82955068
3-Chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,5-thiadiazole
CID 102722062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole (CID 43808056) is 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole is CC(C)Oc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole?
The InChIKey is AWWWAQNWEDIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c1-3(2)9-5-4(6)7-10-8-5/h3H,1-2H3.
What are the key properties of 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole?
3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole has a molecular weight of 178.64 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-yloxy-1,2,5-thiadiazole is sourced from PubChem (CID 43808056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).