5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

C13H14N6S — CID 103359870

IUPAC5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cnc[nH]2)c1-c1ccncc1
InChIInChI=1S/C13H14N6S/c14-12-11(9-1-4-15-5-2-9)13(20-19-12)17-6-3-10-7-16-8-18-10/h1-2,4-5,7-8,17H,3,6H2,(H2,14,19)(H,16,18)
InChIKeyGJDWULSMLFFXIF-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.16
Rot. Bonds5

About 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359870) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103359870
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cnc[nH]2)c1-c1ccncc1
InChIInChI=1S/C13H14N6S/c14-12-11(9-1-4-15-5-2-9)13(20-19-12)17-6-3-10-7-16-8-18-10/h1-2,4-5,7-8,17H,3,6H2,(H2,14,19)(H,16,18)
InChIKeyGJDWULSMLFFXIF-UHFFFAOYSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103359870) is 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2cnc[nH]2)c1-c1ccncc1.
What is the InChIKey of 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is GJDWULSMLFFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c14-12-11(9-1-4-15-5-2-9)13(20-19-12)17-6-3-10-7-16-8-18-10/h1-2,4-5,7-8,17H,3,6H2,(H2,14,19)(H,16,18).
What are the key properties of 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 286.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).