5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine

C17H23N5S — CID 54341347

IUPAC5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCCC2N=C(c3ccccc3)CCN2)s1
InChIInChI=1S/C17H23N5S/c18-17-22-21-16(23-17)10-6-2-5-9-15-19-12-11-14(20-15)13-7-3-1-4-8-13/h1,3-4,7-8,15,19H,2,5-6,9-12H2,(H2,18,22)
InChIKeyTZDZWGMFQIKKCA-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.03
Rot. Bonds7

About 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine

5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine (PubChem CID 54341347) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine
PubChem CID54341347
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCCC2N=C(c3ccccc3)CCN2)s1
InChIInChI=1S/C17H23N5S/c18-17-22-21-16(23-17)10-6-2-5-9-15-19-12-11-14(20-15)13-7-3-1-4-8-13/h1,3-4,7-8,15,19H,2,5-6,9-12H2,(H2,18,22)
InChIKeyTZDZWGMFQIKKCA-UHFFFAOYSA-N
XLogP3.03
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine (CID 54341347) is 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCCCC2N=C(c3ccccc3)CCN2)s1.
What is the InChIKey of 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TZDZWGMFQIKKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c18-17-22-21-16(23-17)10-6-2-5-9-15-19-12-11-14(20-15)13-7-3-1-4-8-13/h1,3-4,7-8,15,19H,2,5-6,9-12H2,(H2,18,22).
What are the key properties of 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine?
5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-phenyl-1,2,5,6-tetrahydropyrimidin-2-yl)pentyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 54341347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).