3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole

C7H11ClN2OS — CID 102943871

IUPAC3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOCC(C)Cc1nc(Cl)ns1
InChIInChI=1S/C7H11ClN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3
InChIKeyYEWOLVGKXPGKMT-UHFFFAOYSA-N
MW206.70 g/mol
LogP2.02
Rot. Bonds4

About 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole

3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 102943871) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
PubChem CID102943871
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC Name3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOCC(C)Cc1nc(Cl)ns1
InChIInChI=1S/C7H11ClN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3
InChIKeyYEWOLVGKXPGKMT-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
3-(Oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 155227232
5-Methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
CID 155742643
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
5-Chloro-3-(3-methoxypropyl)-1,2,4-thiadiazole
CID 65267201
5-(2-Chloro-3-methoxypropyl)-3-propan-2-yl-1,2,4-thiadiazole
CID 65280621
5-(3-Methoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356026
5-(3-Ethoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356027
5-(3-Methoxy-2-methylpropyl)-1,2,4-thiadiazol-3-amine
CID 80356120
3-Bromo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102943206
3-Bromo-5-(3-ethoxypropyl)-1,2,4-thiadiazole
CID 102943363
3-Bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102943446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole (CID 102943871) is 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole is COCC(C)Cc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is YEWOLVGKXPGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 206.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).