N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine

C9H11N5S — CID 61037158

IUPACN-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnccn2)s1
InChIInChI=1S/C9H11N5S/c1-2-3-12-9-14-13-8(15-9)7-6-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,12,14)
InChIKeyCYOSKZQMVGGESX-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.82
Rot. Bonds4

About N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine

N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 61037158) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID61037158
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC NameN-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnccn2)s1
InChIInChI=1S/C9H11N5S/c1-2-3-12-9-14-13-8(15-9)7-6-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,12,14)
InChIKeyCYOSKZQMVGGESX-UHFFFAOYSA-N
XLogP1.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine (CID 61037158) is N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cnccn2)s1.
What is the InChIKey of N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is CYOSKZQMVGGESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-2-3-12-9-14-13-8(15-9)7-6-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,12,14).
What are the key properties of N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61037158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).