N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C9H11N5S — CID 133433814

IUPACN,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)Cc2cnccn2)s1
InChIInChI=1S/C9H11N5S/c1-7-12-13-9(15-7)14(2)6-8-5-10-3-4-11-8/h3-5H,6H2,1-2H3
InChIKeyLLNZQGPXIJUZBW-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.27
Rot. Bonds3

About N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133433814) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133433814
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC NameN,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)Cc2cnccn2)s1
InChIInChI=1S/C9H11N5S/c1-7-12-13-9(15-7)14(2)6-8-5-10-3-4-11-8/h3-5H,6H2,1-2H3
InChIKeyLLNZQGPXIJUZBW-UHFFFAOYSA-N
XLogP1.27
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-N-(5-pyrazin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1447060
N-methyl-N-(pyrazin-2-ylmethyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 30869505
N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599695
N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1447006
N-methyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
CID 6491001
2-Pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
CID 11665827
N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
CID 61037157
N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
CID 61037158
N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64158230
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624330
5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209554
N-methyl-N-(pyrazin-2-ylmethyl)-3-(1H-tetrazol-1-yl)propan-1-amine
CID 91829088

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 133433814) is N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)Cc2cnccn2)s1.
What is the InChIKey of N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LLNZQGPXIJUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-7-12-13-9(15-7)14(2)6-8-5-10-3-4-11-8/h3-5H,6H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133433814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).