2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole

C10H16Cl2N2S — CID 615610

IUPAC2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)(CCl)c1nnc(C(C)(C)CCl)s1
InChIInChI=1S/C10H16Cl2N2S/c1-9(2,5-11)7-13-14-8(15-7)10(3,4)6-12/h5-6H2,1-4H3
InChIKeyHBZIMYZTHMLQDV-UHFFFAOYSA-N
MW267.22 g/mol
LogP3.57
Rot. Bonds4

About 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole

2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole (PubChem CID 615610) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole
PubChem CID615610
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)(CCl)c1nnc(C(C)(C)CCl)s1
InChIInChI=1S/C10H16Cl2N2S/c1-9(2,5-11)7-13-14-8(15-7)10(3,4)6-12/h5-6H2,1-4H3
InChIKeyHBZIMYZTHMLQDV-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole (CID 615610) is 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole is CC(C)(CCl)c1nnc(C(C)(C)CCl)s1.
What is the InChIKey of 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole?
The InChIKey is HBZIMYZTHMLQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2S/c1-9(2,5-11)7-13-14-8(15-7)10(3,4)6-12/h5-6H2,1-4H3.
What are the key properties of 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole?
2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole has a molecular weight of 267.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 615610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).