2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole

C23H33N7S5 — CID 157138075

IUPAC2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole
SMILESCc1cnc(C)s1.Cc1cnsc1C.Cc1csc(C)n1.Cc1nnc(C)s1.Cc1nsc(C)n1
InChIInChI=1S/3C5H7NS.2C4H6N2S/c1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3*3H,1-2H3;2*1-2H3
InChIKeyAJWAJDVQZRIDQF-UHFFFAOYSA-N
MW567.90 g/mol
LogP7.59
Rot. Bonds

About 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole

2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole (PubChem CID 157138075) has the molecular formula C23H33N7S5 and a molecular weight of 567.90 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole
PubChem CID157138075
Molecular FormulaC23H33N7S5
Molecular Weight567.90 g/mol
Exact Mass567.14
IUPAC Name2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole
SMILESCc1cnc(C)s1.Cc1cnsc1C.Cc1csc(C)n1.Cc1nnc(C)s1.Cc1nsc(C)n1
InChIInChI=1S/3C5H7NS.2C4H6N2S/c1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3*3H,1-2H3;2*1-2H3
InChIKeyAJWAJDVQZRIDQF-UHFFFAOYSA-N
XLogP7.59
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500567.90
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole?
The IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole (CID 157138075) is 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole is Cc1cnc(C)s1.Cc1cnsc1C.Cc1csc(C)n1.Cc1nnc(C)s1.Cc1nsc(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole?
The InChIKey is AJWAJDVQZRIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7NS.2C4H6N2S/c1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3*3H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole?
2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole has a molecular weight of 567.90 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole is sourced from PubChem (CID 157138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).