3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine

C17H15N5S — CID 141437181

IUPAC3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nc(-c2cnc3ccccn23)cs1
InChIInChI=1S/C17H15N5S/c1-11-5-6-12(18)8-13(11)20-17-21-14(10-23-17)15-9-19-16-4-2-3-7-22(15)16/h2-10H,18H2,1H3,(H,20,21)
InChIKeyQHDKSBFSSYEBLC-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.09
Rot. Bonds3

About 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine

3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine (PubChem CID 141437181) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine
PubChem CID141437181
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nc(-c2cnc3ccccn23)cs1
InChIInChI=1S/C17H15N5S/c1-11-5-6-12(18)8-13(11)20-17-21-14(10-23-17)15-9-19-16-4-2-3-7-22(15)16/h2-10H,18H2,1H3,(H,20,21)
InChIKeyQHDKSBFSSYEBLC-UHFFFAOYSA-N
XLogP4.09
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
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 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine (CID 141437181) is 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine is Cc1ccc(N)cc1Nc1nc(-c2cnc3ccccn23)cs1.
What is the InChIKey of 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine?
The InChIKey is QHDKSBFSSYEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-11-5-6-12(18)8-13(11)20-17-21-14(10-23-17)15-9-19-16-4-2-3-7-22(15)16/h2-10H,18H2,1H3,(H,20,21).
What are the key properties of 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine?
3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine has a molecular weight of 321.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 141437181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).