5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine

C14H20N4S — CID 130242470

IUPAC5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nnc(C(C)C(C)(C)C)s2)cn1
InChIInChI=1S/C14H20N4S/c1-9(14(2,3)4)12-17-18-13(19-12)10-6-7-11(15-5)16-8-10/h6-9H,1-5H3,(H,15,16)
InChIKeyCHTARCCUABSVRX-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.79
Rot. Bonds3

About 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine

5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 130242470) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine
PubChem CID130242470
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nnc(C(C)C(C)(C)C)s2)cn1
InChIInChI=1S/C14H20N4S/c1-9(14(2,3)4)12-17-18-13(19-12)10-6-7-11(15-5)16-8-10/h6-9H,1-5H3,(H,15,16)
InChIKeyCHTARCCUABSVRX-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine (CID 130242470) is 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nnc(C(C)C(C)(C)C)s2)cn1.
What is the InChIKey of 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is CHTARCCUABSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9(14(2,3)4)12-17-18-13(19-12)10-6-7-11(15-5)16-8-10/h6-9H,1-5H3,(H,15,16).
What are the key properties of 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine?
5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 130242470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).