2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine

C15H15N5S — CID 87204448

IUPAC2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine
SMILESNc1ccc(N)c(Cc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C15H15N5S/c16-11-4-5-13(17)10(7-11)8-12-9-19-15(21-12)20-14-3-1-2-6-18-14/h1-7,9H,8,16-17H2,(H,18,19,20)
InChIKeyZHHBAENIWRVLKU-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.04
Rot. Bonds4

About 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine

2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine (PubChem CID 87204448) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine
PubChem CID87204448
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine
SMILESNc1ccc(N)c(Cc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C15H15N5S/c16-11-4-5-13(17)10(7-11)8-12-9-19-15(21-12)20-14-3-1-2-6-18-14/h1-7,9H,8,16-17H2,(H,18,19,20)
InChIKeyZHHBAENIWRVLKU-UHFFFAOYSA-N
XLogP3.04
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine?
The IUPAC name of 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine (CID 87204448) is 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine?
The canonical SMILES for 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine is Nc1ccc(N)c(Cc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine?
The InChIKey is ZHHBAENIWRVLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c16-11-4-5-13(17)10(7-11)8-12-9-19-15(21-12)20-14-3-1-2-6-18-14/h1-7,9H,8,16-17H2,(H,18,19,20).
What are the key properties of 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine?
2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine has a molecular weight of 297.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 87204448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).