5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine

C13H13N5S — CID 69233553

IUPAC5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1cncc2ccc(-c3nnc(N)s3)nc12
InChIInChI=1S/C13H13N5S/c1-2-3-8-6-15-7-9-4-5-10(16-11(8)9)12-17-18-13(14)19-12/h4-7H,2-3H2,1H3,(H2,14,18)
InChIKeyDCRBGAPRFDHNCD-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.68
Rot. Bonds3

About 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine

5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 69233553) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID69233553
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1cncc2ccc(-c3nnc(N)s3)nc12
InChIInChI=1S/C13H13N5S/c1-2-3-8-6-15-7-9-4-5-10(16-11(8)9)12-17-18-13(14)19-12/h4-7H,2-3H2,1H3,(H2,14,18)
InChIKeyDCRBGAPRFDHNCD-UHFFFAOYSA-N
XLogP2.68
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine (CID 69233553) is 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine is CCCc1cncc2ccc(-c3nnc(N)s3)nc12.
What is the InChIKey of 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DCRBGAPRFDHNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-3-8-6-15-7-9-4-5-10(16-11(8)9)12-17-18-13(14)19-12/h4-7H,2-3H2,1H3,(H2,14,18).
What are the key properties of 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine?
5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 69233553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).