4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

C12H11N5S2 — CID 103365701

IUPAC4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2cncs2)c1-c1ccncc1
InChIInChI=1S/C12H11N5S2/c13-11-10(8-1-3-14-4-2-8)12(19-17-11)16-6-9-5-15-7-18-9/h1-5,7,16H,6H2,(H2,13,17)
InChIKeyXMFYQYSQEBOEIS-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.86
Rot. Bonds4

About 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365701) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103365701
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2cncs2)c1-c1ccncc1
InChIInChI=1S/C12H11N5S2/c13-11-10(8-1-3-14-4-2-8)12(19-17-11)16-6-9-5-15-7-18-9/h1-5,7,16H,6H2,(H2,13,17)
InChIKeyXMFYQYSQEBOEIS-UHFFFAOYSA-N
XLogP2.86
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103365701) is 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2cncs2)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XMFYQYSQEBOEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c13-11-10(8-1-3-14-4-2-8)12(19-17-11)16-6-9-5-15-7-18-9/h1-5,7,16H,6H2,(H2,13,17).
What are the key properties of 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).