(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone

C13H15N3OS — CID 105098782

IUPAC(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2snnc2C(C)(C)C)cn1
InChIInChI=1S/C13H15N3OS/c1-8-5-6-9(7-14-8)10(17)11-12(13(2,3)4)15-16-18-11/h5-7H,1-4H3
InChIKeyGRZWSAIBPUUVPA-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.77
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone

(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 105098782) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID105098782
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2snnc2C(C)(C)C)cn1
InChIInChI=1S/C13H15N3OS/c1-8-5-6-9(7-14-8)10(17)11-12(13(2,3)4)15-16-18-11/h5-7H,1-4H3
InChIKeyGRZWSAIBPUUVPA-UHFFFAOYSA-N
XLogP2.77
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone (CID 105098782) is (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2snnc2C(C)(C)C)cn1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is GRZWSAIBPUUVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-5-6-9(7-14-8)10(17)11-12(13(2,3)4)15-16-18-11/h5-7H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 261.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105098782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).