N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine

C13H19N5S — CID 131962552

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C13H19N5S/c1-8-6-14-9(2)11(16-8)15-7-10-17-18-12(19-10)13(3,4)5/h6H,7H2,1-5H3,(H,15,16)
InChIKeyYZBOVYNQLCDNKC-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.85
Rot. Bonds3

About N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 131962552) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID131962552
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C13H19N5S/c1-8-6-14-9(2)11(16-8)15-7-10-17-18-12(19-10)13(3,4)5/h6H,7H2,1-5H3,(H,15,16)
InChIKeyYZBOVYNQLCDNKC-UHFFFAOYSA-N
XLogP2.85
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine (CID 131962552) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCc2nnc(C(C)(C)C)s2)n1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is YZBOVYNQLCDNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-6-14-9(2)11(16-8)15-7-10-17-18-12(19-10)13(3,4)5/h6H,7H2,1-5H3,(H,15,16).
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 131962552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).