(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C14H16N2OS — CID 105085743

IUPAC(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C14H16N2OS/c1-8(2)12-14(18-16-15-12)13(17)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3
InChIKeyIBGSQRPLXKWCAG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.51
Rot. Bonds3

About (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105085743) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105085743
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C14H16N2OS/c1-8(2)12-14(18-16-15-12)13(17)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3
InChIKeyIBGSQRPLXKWCAG-UHFFFAOYSA-N
XLogP3.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105085743) is (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is Cc1ccc(C)c(C(=O)c2snnc2C(C)C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is IBGSQRPLXKWCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8(2)12-14(18-16-15-12)13(17)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3.
What are the key properties of (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105085743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).