3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole

C7H11ClN2OS — CID 102943907

IUPAC3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
SMILESCC(C)(C)OCc1nc(Cl)ns1
InChIInChI=1S/C7H11ClN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3
InChIKeyAEIHIPBECVVXCJ-UHFFFAOYSA-N
MW206.70 g/mol
LogP2.51
Rot. Bonds2

About 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole

3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole (PubChem CID 102943907) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
PubChem CID102943907
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC Name3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
SMILESCC(C)(C)OCc1nc(Cl)ns1
InChIInChI=1S/C7H11ClN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3
InChIKeyAEIHIPBECVVXCJ-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
3-(2-Methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 90400203
3-(2-Ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 135170706
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
CID 143141471
3-Chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 162686576
Tert-butyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669134
5-(Ethoxymethyl)-1,2,4-thiadiazol-3-amine
CID 64544867
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(propoxymethyl)-1,2,4-thiadiazole
CID 65267362

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole (CID 102943907) is 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole is CC(C)(C)OCc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The InChIKey is AEIHIPBECVVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3.
What are the key properties of 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole has a molecular weight of 206.70 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).